Geometry & MOs

Info

ID:	413388
PubChem CID:	135086337
Reduced:	N4C13H13 (1)
Stoich.:	A4B13C13 (1)
Weight, g/mol:	245.059399
ΔH_f, kcal/mol:	122.7
Dipole, Da:	1.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.101933
Charge, e:	1

Chem-info

IUPAC name:

5-(2-azidophenyl)-2-chloro-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

CC1=[N+](C=C(C=C1)C2=CC=CC=C2N=[N+]=[N-])C

DOS

IR

Vibrations