Geometry & MOs

Info

ID:	43037
PubChem CID:	10317954
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	385.09819
ΔH_f, kcal/mol:	-87.24
Dipole, Da:	6.92
IP(EA), eV:	-9.18(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=C3C(=C(C=C2)O)NC(=N3)C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations