Geometry & MOs

Info

ID:	325580
PubChem CID:	126684053
Reduced:	FO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	284.121258
ΔH_f, kcal/mol:	-129.26
Dipole, Da:	3.18
IP(EA), eV:	-9.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)phenyl]-5-hydroxycyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2CC(=O)C(=CC3CCCCC3)C(=O)C2)CF

DOS

IR

Vibrations