Methyl isocyanide
- Formula: C2H3N
- Molecular weight: 41.0519
- IUPAC Standard InChI: InChI=1S/C2H3N/c1-3-2/h1H3
- 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 compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 3
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| 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
Notes
| S | Strong |
| M | Medium |
| W | Weak |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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