Geometry & MOs

Info

ID:	396919
PubChem CID:	135029457
Reduced:	O2N3H13C20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	371.08254
ΔH_f, kcal/mol:	60.67
Dipole, Da:	9.12
IP(EA), eV:	-9.17(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-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=CO5

DOS

IR

Vibrations