Geometry & MOs

Info

ID:	339264
PubChem CID:	127260643
Reduced:	OC10H14 (1)
Stoich.:	AB10C14 (1)
Weight, g/mol:	220.092186
ΔH_f, kcal/mol:	-26.33
Dipole, Da:	3.4
IP(EA), eV:	-9.76(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R)-2-methylsulfanyl-6-phenylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCC(=O)/C(=C\C2CC2)/C1

DOS

IR

Vibrations