Geometry & MOs

Info

ID:	159732
PubChem CID:	57288679
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	469.96943
ΔH_f, kcal/mol:	-17.93
Dipole, Da:	4.72
IP(EA), eV:	-8.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-8-fluoro-6-(iodomethyl)-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)N=C3C(C(=O)NC3=O)C4=CC(=CC=C4)N

DOS

IR

Vibrations