Geometry & MOs

Info

ID:	405792
PubChem CID:	135075453
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	222.107836
ΔH_f, kcal/mol:	9.18
Dipole, Da:	2.24
IP(EA), eV:	-8.89(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-phenylsulfanylhex-4-en-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC#CCC(C)C

DOS

IR

Vibrations