Geometry & MOs

Info

ID:

11275

PubChem CID:

112867

Reduced:

N2C7H7 (1)

Stoich.:

A2B7C7 (1)

Weight, g/mol:

119.060923

ΔHf, kcal/mol:

63.34

Dipole, Da:

3.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.900194

Charge, e:

 1

Chem-info

IUPAC name:

1-methylpyridin-1-ium-2-carbonitrile

Drug info:

PubChemData

Smile

C[N+]1=CC=CC=C1C#N

DOS

IR

Vibrations