Geometry & MOs

Info

ID:

1362

PubChem CID:

4239

Reduced:

N4O4C9H15 (1)

Stoich.:

A4B4C9D15 (1)

Weight, g/mol:

243.10933

ΔHf, kcal/mol:

-71.68

Dipole, Da:

4.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.795972

Charge, e:

 1

Chem-info

IUPAC name:

ethyl N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=C[N+](=NO1)N2CCOCC2

DOS

IR

Vibrations