Geometry & MOs

Info

ID:	273817
PubChem CID:	103805204
Reduced:	ClFOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	262.056071
ΔH_f, kcal/mol:	-71.06
Dipole, Da:	3.88
IP(EA), eV:	-9.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations