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January 28, 2026
C2H3N3
Datos Químicos de C2H3N3
ID
167
Molecular Scaffold
gK@AbeKbuPC~Dlr@
Molecular Formula
C2H3N3
Elemental Composition %
C: 25%
H: 37.5%
O: 0%
N: 37.5%
Weight
69.0668
Programa de Cálculo
G16
SMILES
[CH]1N=C[N]N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H4N3/c1-3-2-5-4-1/h1-2,4H,(H,3,5)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AAIWSZZTAIWDBZ-UHFFFAOYSA-N