Geometry & MOs

Info

ID:	189641
PubChem CID:	77884835
Reduced:	O3C13H22 (2)
Stoich.:	A3B13C22 (2)
Weight, g/mol:	362.209324
ΔH_f, kcal/mol:	-324.34
Dipole, Da:	5.29
IP(EA), eV:	-10.03(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(3-cyclohex-2-en-1-yl-3-hydroxyprop-1-enyl)-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCCC(C=CC1CCC(=O)C1(CCCCC(C)CC(=O)OCC)C(=O)OCC)O

DOS

IR

Vibrations