Geometry & MOs

Info

ID:	136750
PubChem CID:	52094314
Reduced:	ClF2N2O2H11C17 (1)
Stoich.:	AB2C2D2E11F17 (1)
Weight, g/mol:	330.057134
ΔH_f, kcal/mol:	-119.43
Dipole, Da:	8.28
IP(EA), eV:	-8.8(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations