Geometry & MOs

Info

ID:	402712
PubChem CID:	135056987
Reduced:	SO3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-139.24
Dipole, Da:	4.35
IP(EA), eV:	-9.57(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-methylhex-5-en-3-ol

Drug info:

PubChemData

Smile

CCC[C@H]([C@@H](C(=O)O)SCC=C)O

DOS

IR

Vibrations