Geometry & MOs

Info

ID:	402825
PubChem CID:	135057431
Reduced:	OC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	260.101271
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	4.98
IP(EA), eV:	-8.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-2-[1-(4-fluorophenyl)ethyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)C)C(C)C2=CC=C(C=C2)OC

DOS

IR

Vibrations