Geometry & MOs

Info

ID:

2011

PubChem CID:

5571

Reduced:

NO2C7H8 (1)

Stoich.:

AB2C7D8 (1)

Weight, g/mol:

138.055504

ΔHf, kcal/mol:

-52.53

Dipole, Da:

6.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.849872

Charge, e:

 1

Chem-info

IUPAC name:

1-methylpyridin-1-ium-3-carboxylic acid

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)C(=O)O

DOS

IR

Vibrations