Geometry & MOs

Info

ID:	3917
PubChem CID:	10434
Reduced:	OC3H4 (2)
Stoich.:	AB3C4 (2)
Weight, g/mol:	112.052429
ΔH_f, kcal/mol:	-90.34
Dipole, Da:	3.92
IP(EA), eV:	-10.44(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)CC(=O)C1

DOS

IR

Vibrations