Geometry & MOs

Info

ID:	249508
PubChem CID:	103090113
Reduced:	SO3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	216.154787
ΔH_f, kcal/mol:	-111.81
Dipole, Da:	0.58
IP(EA), eV:	-8.3(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylcyclohexyl)-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CCCSC)O)OC

DOS

IR

Vibrations