Geometry & MOs

Info

ID:	7379
PubChem CID:	72311
Reduced:	ClNO4H18C21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	383.092436
ΔH_f, kcal/mol:	-82.15
Dipole, Da:	2.26
IP(EA), eV:	-8.04(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride

Drug info:

PubChemData

Smile

C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]

DOS

IR

Vibrations