Geometry & MOs

Info

ID:

986

PubChem CID:

3621

Reduced:

NO2C7H8 (1)

Stoich.:

AB2C7D8 (1)

Weight, g/mol:

138.055504

ΔHf, kcal/mol:

-57.53

Dipole, Da:

4.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.791833

Charge, e:

 1

Chem-info

IUPAC name:

1-methylpyridin-1-ium-2-carboxylic acid

Drug info:

PubChemData

Smile

C[N+]1=CC=CC=C1C(=O)O

DOS

IR

Vibrations