Geometry & MOs

Info

ID:	403028
PubChem CID:	135058410
Reduced:	ClNO4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	269.121592
ΔH_f, kcal/mol:	-163.33
Dipole, Da:	5.37
IP(EA), eV:	-8.6(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-(3-fluorophenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCCOC(=O)/C=C/C1=CC(=C(C=C1NC(=O)C)Cl)OC

DOS

IR

Vibrations