Geometry & MOs

Info

ID:	48075
PubChem CID:	10536988
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-148.06
Dipole, Da:	5.48
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3R,6S,7R)-6-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=CC(=C1)OC)C(=O)C

DOS

IR

Vibrations