Geometry & MOs

Info

ID:	5490
PubChem CID:	13223
Reduced:	O3H8C9 (1)
Stoich.:	A3B8C9 (1)
Weight, g/mol:	164.047344
ΔH_f, kcal/mol:	-85.94
Dipole, Da:	5.58
IP(EA), eV:	-10.67(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2C=CC1C3C2C(=O)OC3=O

DOS

IR

Vibrations