Geometry & MOs

Info

ID:	396921
PubChem CID:	135029460
Reduced:	O3N4H14C22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	415.03202
ΔH_f, kcal/mol:	83.57
Dipole, Da:	11.48
IP(EA), eV:	-9.35(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-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(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations