Geometry & MOs

Info

ID:	396920
PubChem CID:	135029459
Reduced:	ClON3H14C22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	382.10659
ΔH_f, kcal/mol:	78.77
Dipole, Da:	10.4
IP(EA), eV:	-9.19(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-nitrophenyl)-4-oxo-2,3-dihydro-1H-benzimidazolo[1,2-a]quinoline-6-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations