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January 28, 2026
C2H5N5
Datos Químicos de C2H5N5
ID
3771
Molecular Scaffold
gFz@AEjeKxmS@@
Molecular Formula
C2H5N5
Elemental Composition %
C: 16.6666666666667%
H: 41.6666666666667%
O: 0%
N: 41.6666666666667%
Weight
99.0967
Programa de Cálculo
G16
SMILES
CN1N=NNC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H5N5/c1-7-2(3)4-5-6-7/h1H3,(H2,3,4,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GTKOKCQMHAGFSM-UHFFFAOYSA-N