Geometry & MOs

Info

ID:	47932
PubChem CID:	10535876
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-108.64
Dipole, Da:	4.64
IP(EA), eV:	-9.86(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetic acid

Drug info:

PubChemData

Smile

COC(=O)CC/C=C\C/C=C\CC=O

DOS

IR

Vibrations