Geometry & MOs

Info

ID:	5048
PubChem CID:	12511
Reduced:	OC3H4 (2)
Stoich.:	AB3C4 (2)
Weight, g/mol:	112.052429
ΔH_f, kcal/mol:	-88.82
Dipole, Da:	0.01
IP(EA), eV:	-10.3(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexane-1,4-dione

Drug info:

PubChemData

Smile

C1CC(=O)CCC1=O

DOS

IR

Vibrations