Methane | SSHADE

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Molecule

Name: Methane

Name and identifiers

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

Structure and atomic composition

Formula: $^{13}CH_4$
Chemical formula: CH4
Isotopic formula: [13]C[1]H4
Structural formula: [13CH4]
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$^{13}C$	Carbon	1
	$^1H$	Hydrogen	4

Relations

no

Isotopic composition

Isotope mixture type: pure isotope

Nuclear spin isomers

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 $D$

Fundamental vibration modes

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

Chemical functions and bonds

Chemical bonds

	Bond	Number
	$\geq ^{13}C-^1H$	4

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