Geometry & MOs

Info

ID:	78950
PubChem CID:	49742801
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	385.082934
ΔH_f, kcal/mol:	-95.8
Dipole, Da:	5.5
IP(EA), eV:	-8.77(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-nitro-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations