Geometry & MOs

Info

ID:	10522
PubChem CID:	103739
Reduced:	O2C9H15 (2)
Stoich.:	A2B9C15 (2)
Weight, g/mol:	310.214409
ΔH_f, kcal/mol:	-216.38
Dipole, Da:	6.46
IP(EA), eV:	-9.86(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3,5-di(butan-2-yl)cyclopenten-1-yl]-5-hydroxy-3-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C1CC(C(=C1)C(CC(=O)CC(=O)O)O)C(C)CC

DOS

IR

Vibrations