Geometry & MOs

Info

ID:	14856
PubChem CID:	422681
Reduced:	N2O5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	369.145047
ΔH_f, kcal/mol:	-96.04
Dipole, Da:	7.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.502009
Charge, e:	1

Chem-info

IUPAC name:

2,3,10,11-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]cinnolin-7-ium-13-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CC[N+]3=C2C(=O)C4=CC(=C(C=C4N3)OC)OC)OC

DOS

IR

Vibrations