Geometry & MOs

Info

ID:

52986

PubChem CID:

14709345

Reduced:

NH12C14 (1)

Stoich.:

AB12C14 (1)

Weight, g/mol:

311.05605

ΔHf, kcal/mol:

61.97

Dipole, Da:

0.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.187853

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-methylphenyl)-2-pyridin-1-ium-1-ylethanone;perchlorate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C[N+]3=CC=CC=C23

DOS

IR

Vibrations