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January 28, 2026
C3H3N3ON2
Datos Químicos de C3H3N3ON2
ID
129136
Molecular Scaffold
gFu@MPeLfts@Oxap
Molecular Formula
C3H3N3ON2
Elemental Composition %
C: 25%
H: 25%
O: 8.33333333333333%
N: 41.6666666666667%
Weight
125.091
Programa de Cálculo
G16
SMILES
[NH][C@]1N=COC1=N.N#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N3O.N2/c4-2-3(5)7-1-6-2;1-2/h1-2,4-5H;/t2-;/m1./s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FVVULWCYQGBVCY-HSHFZTNMSA-N