Geometry & MOs

Info

ID:	424120
PubChem CID:	135121406
Reduced:	BaO4C7H10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	184.073559
ΔH_f, kcal/mol:	-403.9
Dipole, Da:	10.27
IP(EA), eV:	-10.11(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione

Drug info:

PubChemData

Smile

C(CCC(=O)[O-])CCC(=O)[O-].[Ba+2]

DOS

IR

Vibrations