Geometry & MOs

Info

ID:	392311
PubChem CID:	135014433
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	354.183109
ΔH_f, kcal/mol:	-59.78
Dipole, Da:	0.43
IP(EA), eV:	-10.3(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-benzoyloxyoctyl] benzoate

Drug info:

PubChemData

Smile

CCCCC[C@@H](C#C)OCOC

DOS

IR

Vibrations