Geometry & MOs

Info

ID:	146843
PubChem CID:	53757764
Reduced:	O3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	352.297745
ΔH_f, kcal/mol:	-133.72
Dipole, Da:	1.47
IP(EA), eV:	-8.89(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(1R,2S)-2-oct-1-enylcyclopentyl]non-7-ene-1,3,3-triol

Drug info:

PubChemData

Smile

CCCC=C(CC(C)C(=O)OCC)OC1=CC=CC=C1C

DOS

IR

Vibrations