Geometry & MOs

Info

ID:

11870

PubChem CID:

122154

Reduced:

N4O4H9C11 (1)

Stoich.:

A4B4C9D11 (1)

Weight, g/mol:

261.06238

ΔHf, kcal/mol:

-31.04

Dipole, Da:

3.66

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764993

Charge, e:

 1

Chem-info

IUPAC name:

1-[4-(diazonioamino)benzoyl]oxy-2,5-dioxopyrrolidine

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)N[N+]#N

DOS

IR

Vibrations