Geometry & MOs

Info

ID:	18818
PubChem CID:	548674
Reduced:	O3C11H12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	192.078644
ΔH_f, kcal/mol:	-98.04
Dipole, Da:	5.97
IP(EA), eV:	-10.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC12C3CC(C1(C(=O)OC2=O)C)C=C3

DOS

IR

Vibrations