Geometry & MOs

Info

ID:	8476
PubChem CID:	78232
Reduced:	CHO (4)
Stoich.:	ABC (4)
Weight, g/mol:	116.010959
ΔH_f, kcal/mol:	-149.16
Dipole, Da:	4.95
IP(EA), eV:	-10.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxane-2,6-dione

Drug info:

PubChemData

Smile

C1C(=O)OC(=O)CO1

DOS

IR

Vibrations