Geometry & MOs

Info

ID:	13213
PubChem CID:	223393
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-161.89
Dipole, Da:	3.77
IP(EA), eV:	-10.03(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-1-propylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCC1(CCCCC1=O)C(=O)OCC

DOS

IR

Vibrations