Geometry & MOs

Info

ID:	79004
PubChem CID:	49743047
Reduced:	ClNOH7C9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	403.99272
ΔH_f, kcal/mol:	-58.65
Dipole, Da:	4.59
IP(EA), eV:	-8.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(4-ethyl-2-oxo-1H-quinolin-7-yl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations