Geometry & MOs

Info

ID:	412871
PubChem CID:	135085800
Reduced:	IOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-25.33
Dipole, Da:	3.74
IP(EA), eV:	-9.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-oxo-1-tricyclo[5.3.0.02,6]decanyl) acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCC=C1C(=O)CC/C=C(/C)\I

DOS

IR

Vibrations