Geometry & MOs

Info

ID:	8489
PubChem CID:	78326
Reduced:	ClON5H24C30 (1)
Stoich.:	ABC5D24E30 (1)
Weight, g/mol:	505.166938
ΔH_f, kcal/mol:	133.41
Dipole, Da:	5.95
IP(EA), eV:	-8.38(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)diazenyl]naphthalen-2-ol;chloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N=NC4=C(C=CC5=CC=CC=C54)O)C6=CC=CC=C6.[Cl-]

DOS

IR

Vibrations