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January 28, 2026
C3H2N2O2N2
Datos Químicos de C3H2N2O2N2
ID
129137
Molecular Scaffold
gOt`JpdfVMZiP@
Molecular Formula
C3H2N2O2N2
Elemental Composition %
C: 27.2727272727273%
H: 18.1818181818182%
O: 18.1818181818182%
N: 36.3636363636364%
Weight
126.075
Programa de Cálculo
G16
SMILES
N=C1N=COC1=O.N#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H2N2O2.N2/c4-2-3(6)7-1-5-2;1-2/h1,4H;
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JMHRMGYCVSRHEP-UHFFFAOYSA-N