Geometry & MOs

Info

ID:	18210
PubChem CID:	538917
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-193.41
Dipole, Da:	6.92
IP(EA), eV:	-10.97(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-dimethyl-3-oxo-2-oxabicyclo[2.2.2]octane-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2(CC(C1C(=O)O2)C(=O)O)C

DOS

IR

Vibrations