Geometry & MOs

Info

ID:	249474
PubChem CID:	103089765
Reduced:	SO2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	210.107836
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	3.17
IP(EA), eV:	-8.37(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CSCCCC(C1=CCCO1)O

DOS

IR

Vibrations