Geometry & MOs

Info

ID:	11951
PubChem CID:	124193
Reduced:	ClNO4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	399.123736
ΔH_f, kcal/mol:	-89.67
Dipole, Da:	7.04
IP(EA), eV:	-8.55(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium;chloride

Drug info:

PubChemData

Smile

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.[Cl-]

DOS

IR

Vibrations