Geometry & MOs

Info

ID:	13100
PubChem CID:	221293
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-147.81
Dipole, Da:	5.98
IP(EA), eV:	-9.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-ethyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCC1CC(=O)C=C(C1C(=O)OCC)C

DOS

IR

Vibrations