Molecule
Name
Methane
IUPAC name
Methane
Secondary names
Methyl hydride, CH4
InChI
InChI=1S/CH4/h1H4
InChI key
VNWKTOKETHGBQD-UHFFFAOYSA-N
CAS number
74-82-8
Comments
natural CH4
Formula
CH4
Chemical formula
CH4
Structural formula
[CH4]
Charge
0
Unpaired electrons
0
  Atom Name Number
C Carbon 1
H Hydrogen 4
Relations
  • no
Isotope mixture type
terrestrial abundance
Isotopes
  Isotope Mole fraction
12CH4 0.988845
13CH4 0.010695079
12CH3D 0.000454921
Spin type
equilibrated
Spin quantum numbers
0, 1, 2
Molar mass
16.04249891 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. CH4 A1 no 2917.0 3025.5 inactive active ia Raman: 2917.0 cm1 (gas)
V2 deformation CH4 E double 1534.0 1533.0 1582.7 inactive active m inactif, but Coriolis interaction with V4 - Raman: 2917.0 cm1 (gas)
V3 stretching CH4 F2 triple 3018.9 3156.8 active active vs Raman: 3019.5 cm1 (gas)
V4 deformation CH4 F2 triple 1306.2 1367.4 active inactive vs
Comments
Vibrations of the main isotope: 12CH4. Harmonic frequencies from Gray and Robiette (1979) - Data from NIST Chemistry WebBook
Publications
Chemical bonds
  Bond Number
CH 4