Geometry & MOs

Info

ID:	322776
PubChem CID:	126671075
Reduced:	FOC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	174.141993
ΔH_f, kcal/mol:	-128.62
Dipole, Da:	2.42
IP(EA), eV:	-10.35(2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R,5S)-2-fluoro-4-methyl-5-propan-2-ylcyclohexan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations