Geometry & MOs

Info

ID:	387926
PubChem CID:	134987428
Reduced:	PSO4C12H21 (1)
Stoich.:	ABC4D12E21 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-192.28
Dipole, Da:	3.3
IP(EA), eV:	-8.33(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-5-oxocyclohexyl)propanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C1(CC2CC1C=C2)S(=O)C)OCC

DOS

IR

Vibrations