Geometry & MOs

Info

ID:	386103
PubChem CID:	134980785
Reduced:	ClO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-202.62
Dipole, Da:	3.6
IP(EA), eV:	-10.64(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4R)-4-acetyloxy-5-methylcyclohex-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(/C=C/COC(=O)C)Cl

DOS

IR

Vibrations