Geometry & MOs

Info

ID:	4446
PubChem CID:	11421
Reduced:	OH2C3 (2)
Stoich.:	AB2C3 (2)
Weight, g/mol:	108.021129
ΔH_f, kcal/mol:	-22.28
Dipole, Da:	5.52
IP(EA), eV:	-9.84(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC(=O)C(=O)C=C1

DOS

IR

Vibrations