Molecule
- Name
- Methane
- IUPAC name
- (13C,1H4)Methane
- Secondary names
- Methyl hydride, CH4, CH4-13
- InChI
- InChI=1S/CH4/h1H4/i1+1H4
- InChI key
- VNWKTOKETHGBQD-MRWQJCQWSA-N
- Comments
- $^{13}CH_4$ isotope
- Formula
- $^{13}CH_4$
- Chemical formula
- CH4
- Isotopic formula
- [13]C[1]H4
- Structural formula
- [13CH4]
- 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
- 17.034655 $g/mol$
- 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. $^{13}CH_4$ $A_{1}$ no inactive active ia V2 deformation $^{13}CH_4$ $E$ double inactive active m inactif, but Coriolis interaction with V4 V3 stretching $^{13}CH_4$ $F_{2}$ triple active active s V4 deformation $^{13}CH_4$ $F_{2}$ triple active inactive vs