Geometry & MOs

Info

ID:	50981
PubChem CID:	12013587
Reduced:	O4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	214.120509
ΔH_f, kcal/mol:	-161.16
Dipole, Da:	5.9
IP(EA), eV:	-10.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-3-methoxy-6-oxocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCOC1CCC(=O)C(=C1)C(=O)OC

DOS

IR

Vibrations