Geometry & MOs

Info

ID:	78948
PubChem CID:	49742791
Reduced:	BrN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	384.04734
ΔH_f, kcal/mol:	-46.61
Dipole, Da:	5.98
IP(EA), eV:	-8.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-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=CC=CC=C3Br

DOS

IR

Vibrations