Geometry & MOs

Info

ID:	79005
PubChem CID:	49743050
Reduced:	BrClN2O2H14C18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	-46.07
Dipole, Da:	4.68
IP(EA), eV:	-8.94(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-2-oxo-1H-quinolin-7-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations