Geometry & MOs

Info

ID:	125269
PubChem CID:	50917806
Reduced:	Cl2N3O4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	271.08087
ΔH_f, kcal/mol:	-118.56
Dipole, Da:	4.45
IP(EA), eV:	-9.31(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-(4-fluorophenyl)-2-methyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C=C(C=N1)OCC(=O)N2CCC(CC2)OC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations