Geometry & MOs

Info

ID:	322774
PubChem CID:	126671070
Reduced:	FOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	188.157643
ΔH_f, kcal/mol:	-122.66
Dipole, Da:	1.28
IP(EA), eV:	-9.65(2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4S)-1-fluoro-2-methoxy-3-methyl-4-propan-2-ylcyclohexane

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]([C@H](C[C@H]1C)F)OC

DOS

IR

Vibrations