Version 2022.12.nohf
Tag 57802
Molecule - Descriptor 1-propanimine, Propan-1-imine (CH3CH2CHNH) - Z isomer, v=0
Isotope parent
Hyperfine No
Lines in DB 2764
Frequency max. (MHz) 499015.6601
J max. 60
Cite these data as Margulès L., Remijan A., Belloche A., Motiyenko R.A., McGuire B.A., Xue C., Müller H.S.P., Garrod R.T., Menten K.M., Guillemin J.C. 2022, A&A, 663, A132 https://doi.org/10.1051/0004-6361/202243172

The partition function does not account for the relative energy of 3.16 kJ/mol of Z isomer with respect to E conformer

T(K) Qt Qrot Qvib
300.0 259017.536 42855.317 6.044
225.0 95700.764 27884.838 3.432
150.0 29775.556 15160.67 1.964
75.0 6416.907 5351.882 1.199
37.5 1937.348 1891.941 1.024
18.75 670.391 669.721 1.001
9.375 237.536 237.536 1.0

Standard CAT file format of quantum numbers

Dipole moments

  • Theoretical values (DFT calculations): Margulès L., Remijan A., Belloche A., Motiyenko R.A., McGuire B.A., Xue C., Müller H.S.P., Garrod R.T., Menten K.M., Guillemin J.C. 2022, A&A, 663, A132 https://doi.org/10.1051/0004-6361/202243172