Geometry & MOs

Info

ID:	57121
PubChem CID:	22395363
Reduced:	FO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	208.089958
ΔH_f, kcal/mol:	-108.86
Dipole, Da:	1.07
IP(EA), eV:	-9.76(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-4-hydroxycyclohexan-1-one

Drug info:

PubChemData

Smile

C=C.C1CC(CCC1=O)(C2=CC=C(C=C2)F)O

DOS

IR

Vibrations