Geometry & MOs

Info

ID:	222035
PubChem CID:	85293532
Reduced:	NO4C31H33 (1)
Stoich.:	AB4C31D33 (1)
Weight, g/mol:	482.145101
ΔH_f, kcal/mol:	-105.24
Dipole, Da:	1.21
IP(EA), eV:	-8.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3,8-diamino-5,10-dioxo-2,7-diphenylpyridazino[3,4-g]cinnoline-2,7-diium-4,9-dicarboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3=CC=CC(=C3)C=CC(=O)OC)C(=O)C4CCCCC4

DOS

IR

Vibrations