Geometry & MOs

Info

ID:	12561
PubChem CID:	140406
Reduced:	ON2H10C16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	246.079313
ΔH_f, kcal/mol:	87.04
Dipole, Da:	0.56
IP(EA), eV:	-8.81(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-oxidobenzo[a]phenazin-12-ium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=NC4=CC=CC=C4[N+](=C32)[O-]

DOS

IR

Vibrations