Geometry & MOs

Info

ID:	322767
PubChem CID:	126671063
Reduced:	FOC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	174.141993
ΔH_f, kcal/mol:	-125.27
Dipole, Da:	2.67
IP(EA), eV:	-10.33(2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,6R)-6-fluoro-3-methyl-2-propan-2-ylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@@H]([C@@H]1C)O)F

DOS

IR

Vibrations