Geometry & MOs

Info

ID:	385818
PubChem CID:	134980064
Reduced:	O4C19H32 (1)
Stoich.:	A4B19C32 (1)
Weight, g/mol:	282.110338
ΔH_f, kcal/mol:	-204.33
Dipole, Da:	2.49
IP(EA), eV:	-9.82(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S,6S)-5,6-diacetyloxy-3-ethenylcyclohex-3-en-1-yl] acetate

Drug info:

PubChemData

Smile

CCCOC(=O)[C@H](C=C)[C@H](/C=C/CC(C)(C)C)C(=O)OCCC

DOS

IR

Vibrations