Geometry & MOs

Info

ID:	78927
PubChem CID:	49742722
Reduced:	BrN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	396.12407
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	6.31
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-4-oxo-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations