Geometry & MOs

Info

ID:	249475
PubChem CID:	103089770
Reduced:	OSC12H18 (1)
Stoich.:	ABC12D18 (1)
Weight, g/mol:	226.102751
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	1.03
IP(EA), eV:	-8.61(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CCCSC)O

DOS

IR

Vibrations