Geometry & MOs

Info

ID:	393557
PubChem CID:	135021034
Reduced:	N4O5H18C30 (1)
Stoich.:	A4B5C18D30 (1)
Weight, g/mol:	407.126991
ΔH_f, kcal/mol:	80.9
Dipole, Da:	4.34
IP(EA), eV:	-9.99(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylquinolin-2-yl)-6-nitro-4-phenyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)[N+](=O)[O-])C4=C(C5=C(C=CC(=C5)[N+](=O)[O-])NC4=O)C6=CC=CC=C6

DOS

IR

Vibrations