Geometry & MOs

Info

ID:	145491
PubChem CID:	53535270
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	325.061804
ΔH_f, kcal/mol:	-110.77
Dipole, Da:	4.09
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)N(C)CC2COC3=CC=CC=C3O2

DOS

IR

Vibrations