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January 28, 2026
C3H2N6
Datos Químicos de C3H2N6
ID
129017
Molecular Scaffold
diU`@@cBXTiYVfxYjeh@_pdHr@
Molecular Formula
C3H2N6
Elemental Composition %
C: 27.2727272727273%
H: 18.1818181818182%
O: 0%
N: 54.5454545454545%
Weight
122.091
Programa de Cálculo
G16
SMILES
C1=NC2=N[N]N[N]C2=N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N6/c1-4-2-3(5-1)7-9-8-6-2/h1,8-9H,(H,4,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VNXBBQSDXZSSJB-UHFFFAOYSA-N