Geometry & MOs

Info

ID:	446194
PubChem CID:	135273053
Reduced:	SO2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	174.125594
ΔH_f, kcal/mol:	-56.19
Dipole, Da:	6.5
IP(EA), eV:	-9.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-3,4-dimethylcyclohexane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCS(=O)(=O)C2=CC=CC(=C2)C

DOS

IR

Vibrations