Geometry & MOs

Info

ID:	395903
PubChem CID:	135026861
Reduced:	OCl2N3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	442.113801
ΔH_f, kcal/mol:	25.91
Dipole, Da:	6.08
IP(EA), eV:	-8.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-6-nitro-5-(4-nitrophenyl)-5,7-dihydrobenzimidazolo[1,2-a][1,8]naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(C2=CNC3=C2C=CC(=C3)Cl)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations