Geometry & MOs

Info

ID:	16780
PubChem CID:	476777
Reduced:	NO5C24H26 (1)
Stoich.:	AB5C24D26 (1)
Weight, g/mol:	408.181098
ΔH_f, kcal/mol:	-120.31
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.704523
Charge, e:	1

Chem-info

IUPAC name:

12-ethoxy-2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C3=CC(=C(C=C31)OC)OC)[N+](=CC4=CC(=C(C=C42)OC)OC)C

DOS

IR

Vibrations