The molecule exists in two conformers, the
second one being about 1.7 kcal/mol (~840 K)
higher in energy. This entry considers only the
low energy trans conformer.
The transition frequencies were summarized by
(1) L. Kolesniková, T. Uhlíková, Jan Koucký,
K. Luková, D. Habiger, P. Kania, J.-C. Guillemin, and Š. Urban,
2023, Astrophys. J., 944, Art. No. 10.
The line list contains microwave data from
(2) E. Bjarnov,
1979, Z. Naturforsch. A, 34, 1269.
The calculation should be sufficiently accurate for
observational purposes; caution is advised for
transition frequencies with calculated uncertainties
exceeding 0.2 MHz.
The a-dipole moment component was taken from
(3) R. D. Brown, P. D. Godfrey, and M. Woodruff,
1979, Aust. J. Chem., 32, 2103;
the b-component is an average of values from (2) and (3).
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