Geometry & MOs

Info

ID:	379456
PubChem CID:	134419543
Reduced:	OSC14H14 (2)
Stoich.:	ABC14D14 (2)
Weight, g/mol:	232.186087
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	3.54
IP(EA), eV:	-8.55(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[dimethyl(propan-2-yl)-lambda4-sulfanyl]ethyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1C2=CC=CC3=C2C=CC(=C3)CCOC(CC4=CC5=CC=CC=C5C(=C4)CSS1)(C)O

DOS

IR

Vibrations