Geometry & MOs

Info

ID:	325581
PubChem CID:	126684054
Reduced:	FO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	240.096186
ΔH_f, kcal/mol:	-102.92
Dipole, Da:	3.81
IP(EA), eV:	-9.43(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[difluoro(phenyl)methyl]-5-hydroxycyclohexan-1-one

Drug info:

PubChemData

Smile

C1C(CC(=O)CC1O)C2=CC=CC(=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations