H2NC3N
Aminopropynenitrile, aminocyanoacetylene
Species tag 066522
Version1*
Date of EntryJan. 2024
ContributorH. S. P. Müller

The experimental lines were taken from
(1) L. Kolesniková, I. León, E. R. Alonso, S. Mata, and J. L. Alonso, 2021, Angew. Chem. Int. Ed. 60, 24461.
Some additional spectroscopic parameters were estimated. Two transitions with large residual were omitted from the fit, one with a somewhat large residual was retained. The data set is somewhat limited, but calculations for Ka = 0 may be reliable throughout, those with Ka = 1 possibly up to 50 GHz, while extrapolations to Ka = 2 should be viewed with great caution.
The dipole moment components are from a quantum chemical calculation in (1); however, c-type transition can not be calculated with confidence.

Lines Listed2912
Frequency / GHz< 120
Max. J28
log STR0-8.5
log STR1-6.3
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D6.3
 µb / D 
 µc / D0.9
 A / MHz~317955
 B / MHz2118.55
 C / MHz2106.15
 Q(300.0)418728.8660
 Q(225.0)271956.0738
 Q(150.0)148030.8105
 Q(75.00)52343.1759
 Q(37.50)18470.4409
 Q(18.75)6234.9313
 Q(9.375)1821.2345
 Q(5.000)573.4575
 Q(2.725)250.3616
detected in ISM/CSMno


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