Geometry & MOs

Info

ID:	408365
PubChem CID:	135081131
Reduced:	O3C10H12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	246.044757
ΔH_f, kcal/mol:	-90.38
Dipole, Da:	5.44
IP(EA), eV:	-9.41(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-phenylbicyclo[2.2.2]oct-5-ene-2,3-dione

Drug info:

PubChemData

Smile

CCOC1CC2C=CC1C(=O)C2=O

DOS

IR

Vibrations