Geometry & MOs

Info

ID:	217100
PubChem CID:	85087258
Reduced:	FO2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	332.235145
ΔH_f, kcal/mol:	-154.42
Dipole, Da:	2.52
IP(EA), eV:	-8.65(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(2-oct-3-enyl-5-oxocyclopent-3-en-1-ylidene)hexanoate

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1F)(C)C)C)O

DOS

IR

Vibrations