- Formula: C2H3N
- Molecular weight: 41.0519
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: ZRKSVHFXTRFQFL-UHFFFAOYSA-N
- CAS Registry Number: 593-75-9
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: Methane, isocyano-; Isocyanomethane; Methyl isonitrile; CH3NC
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Vibrational and/or electronic energy levels
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Data compiled by: Takehiko Shimanouchi
Symmetry: C3 Symmetry Number = 3
|Species||type of mode||Value||Rating||Value||Phase||Value||Phase|
|a1||1||CH3 s-str||2966||B||2965.8 M||gas||2951 S||liq.|
|a1||2||NC str||2166||B||2166.0 M||gas||2161 S||liq.|
|a1||3||CH3 s-deform||1429||D||1429||gas||1414 M||liq.|
|a1||4||CN str||945||B||944.6 M||gas||928 M||liq.|
|e||5||CH3 d-str||3014||B||3014.3 S||gas||3002 W||liq.|
|e||6||CH3 d-deform||1467||B||1466.9 S||gas||1456 W||liq.|
|e||7||CH3 rock||1129||B||1129.3 S||gas|
|e||8||CNC bend||263||C||263 W||gas||290 S||liq.|
Source: Shimanouchi, 1972
|B||1~3 cm-1 uncertainty|
|C||3~6 cm-1 uncertainty|
|D||6~15 cm-1 uncertainty|
Go To: Top, Vibrational and/or electronic energy levels, Notes
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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