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January 28, 2026
C3H7N5
Datos Químicos de C3H7N5
ID
20928
Molecular Scaffold
gFz@AEjeKxmS@@
Molecular Formula
C3H7N5
Elemental Composition %
C: 20%
H: 46.6666666666667%
O: 0%
N: 33.3333333333333%
Weight
113.124
Programa de Cálculo
G16
SMILES
CCN=C1NN=NN1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H7N5/c1-2-4-3-5-7-8-6-3/h2H2,1H3,(H2,4,5,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AYZFMCOIISJDHU-UHFFFAOYSA-N