Geometry & MOs

Info

ID:

14547

PubChem CID:

414478

Reduced:

N3O3H16C17 (1)

Stoich.:

A3B3C16D17 (1)

Weight, g/mol:

310.119166

ΔHf, kcal/mol:

3.87

Dipole, Da:

5.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.906544

Charge, e:

 1

Chem-info

IUPAC name:

ethyl N-(3,4-diphenyloxadiazol-3-ium-5-yl)carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=C([N+](=NO1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations