Geometry & MOs

Info

ID:

413400

PubChem CID:

135086349

Reduced:

N4C13H13 (1)

Stoich.:

A4B13C13 (1)

Weight, g/mol:

229.08895

ΔHf, kcal/mol:

119.97

Dipole, Da:

4.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.195991

Charge, e:

 1

Chem-info

IUPAC name:

4-(2-azido-5-fluorophenyl)-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=[N+]=[N-])C2=CC=[N+](C=C2)C

DOS

IR

Vibrations