In database:
600-6500 cm-1
114-178 nm
Acetonitrile (CH3CN)
Molecular weight 41.0524 amu
Freezing point -48 C
Boiling point 81 C

Infrared cross-sections from PNNL
FTIR infrared cross-sections from 580 to 6500 cm-1
Data available at 3 C, 25 C, and 50 C
Spectra is composite of on the order of 10 different pressures, backfilled with nitrogen to 760 T.
Images of PNNL data in cm2/molecule vs. wavenumbers
Images of PNNL data in cm2/molecule vs. microns

UV cross-sections
Please see The MPI-Mainz UV/VIS Spectral Atlas

Additional References
Ground State Spectrum of Methylcyanide; M. Simecková et. al.; J.Mol.Spec. 226:123-136 (2004).
Frequency list from 91 to 808 GHz.

Notes ch3cn
Fundamental frequencies from NIST Chemistry Webbook
n1 2954 cm-1 (a1) CH3 s-stretch
n2 2267 cm-1 (a1) CN stretch
n3 1385 cm-1 (a1) CH3 s-deform
n4 920 cm-1 (a1) CC stretch
n5 3009 cm-1 (e) CH3 d-stretch
n6 1448 cm-1 (e) CH3 d-deform
n7 1041 cm-1 (e) CH3 rock
n8 362 cm-1 (e) CCN bend



List of available data for all molecules in database
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