Geometry & MOs

Info

ID:	385805
PubChem CID:	134980023
Reduced:	O2C15H26 (1)
Stoich.:	A2B15C26 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-121.06
Dipole, Da:	0.99
IP(EA), eV:	-8.66(1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,6S)-2-acetyloxy-6-methylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=C(C([C@@]1(C)C2(OCCO2)C)C)C)C

DOS

IR

Vibrations