Geometry & MOs

Info

ID:

409343

PubChem CID:

135082123

Reduced:

NOSC2H2 (1)

Stoich.:

ABCD2E2 (1)

Weight, g/mol:

72.008553

ΔHf, kcal/mol:

-13.47

Dipole, Da:

0.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.822493

Charge, e:

 1

Chem-info

IUPAC name:

1,2,4-dioxazol-2-ium

Drug info:

PubChemData

Smile

C1=NC=[O+]S1

DOS

IR

Vibrations