Geometry & MOs

Info

ID:	49064
PubChem CID:	11528670
Reduced:	C17H18 (1)
Stoich.:	A17B18 (1)
Weight, g/mol:	222.107836
ΔH_f, kcal/mol:	69.67
Dipole, Da:	1.09
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenylsulfanylhept-1-en-4-ol

Drug info:

PubChemData

Smile

CC(C)(C)C(C#C)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations