CH3C(NH)CH3
2-Propanimine
Species tag 057521
Version1*
Date of EntryNov. 2023
ContributorL. Zou
H. S. P. Müller

The molecule displays internal rotation of the two non-equivalent methyl groups. The experimental data were reproduced quite well with the erham program. The present analysis and the data are based on
(1) L. Zou, J.-C. Guillemin, A. Belloche, J. K. Jørgensen, L. Margulès, R. A. Motiyenko, and P. Groner, 2023, Mon. Not. R. Astron. Soc. 520, 4089.
The calculation was provided by L. Zou. The present compilation contains many more low-J transitions compared with the published one. Itshould be sufficiently accurate for all observational purposes. Transitions with calculated uncertainties exceeding 0.1 MHz should be viewed with some caution.
Please note also that erham uses two σ values to label each symmetry component. This is incompatible with the VAMDC-CDMS requirements and does not agree with the convention of the classical CDMS to use one state number to label one symmetry species (or one vibrational state etc.). The following relations exist:
0 / 0 0 / A / AA,
1 / 0 1 / E1 / EA,
2 / 1 0 / E2 / AE,
3 / 1 1 / E3 / EE1,
4 / 1 2 / E4 / EE2.
No experimental lines have been merged in the present entry. The list of experimental lines can be accessed in the catalog archive.
Please note also that the partition function refers to the ground vibrational state.
The dipole moment components are from a quantum chemical calculation in (1).

Lines Listed92897
Frequency / GHz< 1000
Max. J80
log STR0-9.0
log STR1-6.0
Isotope Corr. 
Egy / cm–10.0
 µa / D1.37
 µb / D2.06
 µc / D 
 A / MHz9709.083
 B / MHz8478.034
 C / MHz4789.524
 Q(300.0)353614.251
 Q(225.0)229601.689
 Q(150.0)124946.155
 Q(75.00)44177.039
 Q(37.50)15630.155
 Q(18.75)5535.792
 Q(9.375)1965.963
 Q(5.000)770.119
detected in ISM/CSMno


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder