Geometry & MOs

Info

ID:	383768
PubChem CID:	134975685
Reduced:	OC11H22 (1)
Stoich.:	AB11C22 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-85.02
Dipole, Da:	0.64
IP(EA), eV:	-8.95(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethoxyethyl)-4,5,5-trimethyl-3-oxocyclohexen-1-yl] acetate

Drug info:

PubChemData

Smile

CCCCC/C=C(/C(C)(C)C)\O

DOS

IR

Vibrations