Geometry & MOs

Info

ID:

413387

PubChem CID:

135086336

Reduced:

NC8H10 (1)

Stoich.:

AB8C10 (1)

Weight, g/mol:

225.114021

ΔHf, kcal/mol:

25.71

Dipole, Da:

2.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.058127

Charge, e:

 1

Chem-info

IUPAC name:

5-(2-azidophenyl)-1,2-dimethylpyridin-1-ium

Drug info:

PubChemData

Smile

CC(=[NH2+])C1=CC=CC=C1

DOS

IR

Vibrations