Geometry & MOs

Info

ID:	47687
PubChem CID:	10534773
Reduced:	NO3C6H9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	143.969488
ΔH_f, kcal/mol:	-112.61
Dipole, Da:	6.27
IP(EA), eV:	-10.25(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxane-2,3,5,6-tetrone

Drug info:

PubChemData

Smile

C=C[C@@H]([C@H]1COC(=O)N1)O

DOS

IR

Vibrations