Molecule
- Name
- Methane
- IUPAC name
- (12C,1H3,2H1)Methane
- Secondary names
- Methyl hydride, deuteriomethane 1, CH3D, CH3D-12
- InChI
- InChI=1S/CH4/h1H4/i1+0DH3
- InChI key
- VNWKTOKETHGBQD-DWJDBXPTSA-N
- Comments
- 112CH3D isotope
- Formula
- 12CH3D
- Chemical formula
- CH4
- Isotopic formula
- [12]C[1]H3D
- Structural formula
- [12CH3D]
- Charge
- 0
- Unpaired electrons
- 0

- Relations
-
- no
- Isotope mixture type
- pure isotope
- Spin type
- equilibrated
- Molar mass
- 17.037577 g/mol
- State STP
- gas
- Protic
- aprotic
- Polarity
- nonpolar
- Dipole
- 0.0 D
- Molecule symmetry
- C3v
- Case
- symmetric-top
- Vibrations number
- 6
- Vibrations
-
Label Mode Bond Symmetry Degeneracy Fundamental frequency Observed frequency Observed frequency Harmonic frequency Activity IR Activity Raman Strength Comments V1 stretching sym. −12C≤H3 A1 no 2945.0 2914.0 2973.0 active inactive m Fermi resonance with 2V5: observed at 2914 and 2973 cm−1 V2 stretching ≥12C−D A1 no 2200.0 2200.0 active inactive m V3 bending sym. −12C≤H3 A1 no 1300.0 1300.0 active active m Raman: 1306 cm−1 (gas) V4 stretching −12C≤H3 E double 3017.0 3016.9 active inactive s V5 deformation −12C≤H3 E double 1471.0 1471.0 active inactive w V6 bending asym. in-p (rocking) −12C≤H3 E double 1155.0 1155.0 active active m Raman: 1156 cm−1 (gas) - Comments
- Data from NIST Chemistry WebBook
- Publications