Molecule
- Name
- Methane
- IUPAC name
- (12C,1H4)Methane
- Secondary names
- Methyl hydride, CH4, CH4-12
- InChI
- InChI=1S/CH4/h1H4/i1+0H4
- InChI key
- VNWKTOKETHGBQD-XDMSWEHDSA-N
- Comments
- 12CH4 isotope
- Formula
- 12CH4
- Chemical formula
- CH4
- Isotopic formula
- [12]C[1]H4
- Structural formula
- [12CH4]
- Charge
- 0
- Unpaired electrons
- 0
- Relations
-
- no
- Isotope mixture type
- pure isotope
- Spin type
- equilibrated
- Spin quantum numbers
- 0, 1, 2
- Equilibrium ortho/para ratio
- 4.5 (9/2)
- Equilibrium meta/para ratio
- 2.5 (5/2)
- Molar mass
- 16.0313 g/mol
- State STP
- gas
- Protic
- aprotic
- Polarity
- nonpolar
- Dipole
- 0.0 D
- Molecule symmetry
- Td
- Case
- spherical-top
- Vibrations number
- 4
- Vibrations
-
Label Mode Bond Symmetry Degeneracy Fundamental frequency Observed frequency Observed frequency Harmonic frequency Activity IR Activity Raman Strength Comments V1 stretching sym. 12CH4 A1 no 2917.0 3025.5 inactive active ia Raman: 2917.0 cm−1 (gas) V2 deformation 12CH4 E double 1534.0 1533.0 1582.7 inactive active m inactif, but Coriolis interaction with V4 - Raman: 1533.6 cm−1 (gas) V3 stretching 12CH4 F2 triple 3019.0 3018.9 3156.8 active active vs Raman: 3019.5 cm−1 (gas) V4 deformation 12CH4 F2 triple 1306.0 1306.2 1367.4 active inactive vs - Comments
- Harmonic frequencies from Gray and Robiette (1979) - Data from NIST Chemistry WebBook
- Publications