Geometry & MOs

Info

ID:

413671

PubChem CID:

135086620

Reduced:

ON4C13H13 (1)

Stoich.:

AB4C13D13 (1)

Weight, g/mol:

211.098371

ΔHf, kcal/mol:

88.32

Dipole, Da:

3.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.997305

Charge, e:

 1

Chem-info

IUPAC name:

3-(2-azidophenyl)-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)C2=C(C=CC(=C2)OC)N=[N+]=[N-]

DOS

IR

Vibrations