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January 28, 2026
C3H5N3
Datos Químicos de C3H5N3
ID
738
Molecular Scaffold
gK@ALeKcMH@
Molecular Formula
C3H5N3
Elemental Composition %
C: 27.2727272727273%
H: 45.4545454545455%
O: 0%
N: 27.2727272727273%
Weight
83.0937
Programa de Cálculo
G16
SMILES
Cc1n[nH]nc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GVSNQMFKEPBIOY-UHFFFAOYSA-N