Geometry & MOs

Info

ID:	204892
PubChem CID:	80027333
Reduced:	OSC11H24 (1)
Stoich.:	ABC11D24 (1)
Weight, g/mol:	252.154787
ΔH_f, kcal/mol:	-89.0
Dipole, Da:	2.87
IP(EA), eV:	-8.98(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpentoxy)-2-phenylpropane-1-thiol

Drug info:

PubChemData

Smile

CC(C)CCCOCCCCCS

DOS

IR

Vibrations