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
- $^{12}CH_4$ isotope
- Formula
- $^{12}CH_4$
- 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. $^{12}CH_4$ $A_{1}$ no 2917.0 3025.5 inactive active ia Raman: 2917.0 $cm^{-1}$ (gas) V2 deformation $^{12}CH_4$ $E$ double 1534.0 1533.0 1582.7 inactive active m inactif, but Coriolis interaction with V4 - Raman: 1533.6 $cm^{-1}$ (gas) V3 stretching $^{12}CH_4$ $F_{2}$ triple 3019.0 3018.9 3156.8 active active vs Raman: 3019.5 $cm^{-1}$ (gas) V4 deformation $^{12}CH_4$ $F_{2}$ triple 1306.0 1306.2 1367.4 active inactive vs - Comments
- Harmonic frequencies from Gray and Robiette (1979) - Data from NIST Chemistry WebBook
- Publications