Geometry & MOs

Info

ID:	4466
PubChem CID:	11449
Reduced:	OC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	-96.67
Dipole, Da:	0.34
IP(EA), eV:	-9.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octane-2,3-dione

Drug info:

PubChemData

Smile

CCCCCC(=O)C(=O)C

DOS

IR

Vibrations