Geometry & MOs

Info

ID:

182776

PubChem CID:

76936680

Reduced:

O2N5C9H10 (1)

Stoich.:

A2B5C9D10 (1)

Weight, g/mol:

274.095357

ΔHf, kcal/mol:

32.74

Dipole, Da:

4.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.775080

Charge, e:

 0

Chem-info

IUPAC name:

6-[hydroxy(oxan-2-yl)methyl]quinoxaline-2,3-dione

Drug info:

PubChemData

Smile

C1=CC(=O)[N+](=NC1=O)CCN2C=C(C=N2)N

DOS

IR

Vibrations