Geometry & MOs

Info

ID:	23041
PubChem CID:	601308
Reduced:	OSC12H18 (1)
Stoich.:	ABC12D18 (1)
Weight, g/mol:	210.107836
ΔH_f, kcal/mol:	-41.73
Dipole, Da:	3.63
IP(EA), eV:	-8.67(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-(2-methylsulfanylphenyl)butan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CCO)C1=CC=CC=C1SC

DOS

IR

Vibrations