Geometry & MOs

Info

ID:	18844
PubChem CID:	548936
Reduced:	OC4H5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	138.06808
ΔH_f, kcal/mol:	-73.33
Dipole, Da:	5.39
IP(EA), eV:	-9.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[2.2.2]octane-2,3-dione

Drug info:

PubChemData

Smile

C1CC2CCC1C(=O)C2=O

DOS

IR

Vibrations