Geometry & MOs

Info

ID:	246160
PubChem CID:	103047637
Reduced:	ClFO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	270.118671
ΔH_f, kcal/mol:	-138.42
Dipole, Da:	2.83
IP(EA), eV:	-9.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CC(COC1)(CC2=C(C=CC(=C2)Cl)F)O

DOS

IR

Vibrations