Geometry & MOs

Info

ID:	1530
PubChem CID:	4650
Reduced:	OH2C3 (2)
Stoich.:	AB2C3 (2)
Weight, g/mol:	108.021129
ΔH_f, kcal/mol:	-27.63
Dipole, Da:	0.33
IP(EA), eV:	-10.59(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC(=O)C=CC1=O

DOS

IR

Vibrations