Geometry & MOs

Info

ID:

14352

PubChem CID:

409891

Reduced:

Cl2N2O2H5C8 (1)

Stoich.:

A2B2C2D5E8 (1)

Weight, g/mol:

230.972808

ΔHf, kcal/mol:

2.54

Dipole, Da:

5.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.850291

Charge, e:

 1

Chem-info

IUPAC name:

3-(2,5-dichlorophenyl)-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+]2=CC(=O)ON2)Cl

DOS

IR

Vibrations