There are two different isotopomers with the formula CH₂DCH₂CN, one with the D atom out of the C_S plane, and one with the D atom in the plane. The latter is only half as abundant as the former one. The observed transitions were taken from
(1) L. Margulès, R. Motiyenko, K. Demyk, B. Tercero, J. Cernicharo, M. Sheng, M. Weidmann. J. Gripp, H. Mäder, and J. Demaison, 2009, Astron. Astrophys. 493, 565.
Some microwave transition were already reported in
(2) H. Mäder, H. M. Heise, and H. Dreizler, 1976, Z. Naturforsch. 29a, 164.
Predictions with uncertainties exceeding 0.5 MHz should be viewed with caution.
The partition function values below refer to the ground vibrational state only. Vibrational correction factors have been derived for the main isotopolog in the harmonic approximation. Errors caused by isotopic substitution are quite small.
The dipole moment was assumed to agree with that of the main isotopic species, see e055502.cat. Some small deviations are expected to occur, but these are probably within the experimental uncertainties.