H2CC(NH2)CN
2-Aminopropenenitrile
Species tag 068515
Version1*
Date of EntryJan. 2026
ContributorH. S. P. Müller

It appears as if the NH2 group exerts an inversion motion which leads to a splitting of the ground vibrational state into 0+ and 0 substates, the latter being about 1.7 THz higher in energy, as determined from relative intensity measurements in
(1) A. Bauder and T.-K. Ha, 1983, Chem. Phys. Lett. 97, 135.
The millimeter wave transition frequencies were taken from
(2) K. Luková, L. Kolesniková, J.-C. Guillemin, T. Uhlíková, J. Koucký, F. Horák, Lukáš Hrubčík, K. Vávra, P. Kania, Š. Urban, A. Belloche, I. Jiménez-Serra, and V. M. Rivilla, 2025, Astrophys. J. 103, 9940.
The calculation should be accurate enough for radio astronomical searches. Transitions with calculated uncertainties of 0.1 MHz or larger should be viewed with caution. 14N hyperfine structure splitting may occur in transitions with low values of J and potentially some others.
The partition function refers to the ground vibrational state consisting of 0+ and 0. Some information on low-lying vibrational states is available in (2).
The dipole moment components within 0+ was determined in (1). It was assumed that the values apply well enough for 0. A c-dipole moment between 0+ and 0 was calculated in (2), but reliable calculations are not possible yet.

Lines Listed32435
Frequency / GHz< 500
Max. J97
log STR0-8.0
log STR1-6.0
Isotope Corr. 
Egy / (cm–1)0.0 / ~54
 µa / D3.76
 µb / D0.7
 µc / D(0.98)
 A / MHz9990.814
 B / MHz4279.245
 C / MHz2999.675
 Q(300.0)137496.3493
 Q(225.0)86063.1027
 Q(150.0)43762.2486
 Q(75.00)13140.0921
 Q(37.50)3860.2786
 Q(18.75)1231.0652
 Q(9.375)429.4136
 Q(5.000)167.9576
 Q(2.725)68.1245
detected in ISM/CSMno


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