Geometry & MOs

Info

ID:	1728
PubChem CID:	4953
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-172.68
Dipole, Da:	7.3
IP(EA), eV:	-10.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O

DOS

IR

Vibrations