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
- 1$^{12}CH_3D$ isotope
- Formula
- $^{12}CH_3D$
- 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. $-^{12}C \leq H_3$ $A_{1}$ no 2945.0 2914.0 2973.0 active inactive m Fermi resonance with 2V5: observed at 2914 and 2973 $cm^{-1}$ V2 stretching $\geq ^{12}C-D$ $A_{1}$ no 2200.0 2200.0 active inactive m V3 bending sym. $-^{12}C \leq H_3$ $A_{1}$ no 1300.0 1300.0 active active m Raman: 1306 $cm^{-1}$ (gas) V4 stretching $-^{12}C \leq H_3$ $E$ double 3017.0 3016.9 active inactive s V5 deformation $-^{12}C \leq H_3$ $E$ double 1471.0 1471.0 active inactive w V6 bending asym. in-p (rocking) $-^{12}C \leq H_3$ $E$ double 1155.0 1155.0 active active m Raman: 1156 $cm^{-1}$ (gas) - Comments
- Data from NIST Chemistry WebBook
- Publications