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January 28, 2026
C2H3N7
Datos Químicos de C2H3N7
ID
129144
Molecular Scaffold
gOz@AMVeJmuL@aQJ`
Molecular Formula
C2H3N7
Elemental Composition %
C: 16.6666666666667%
H: 25%
O: 0%
N: 58.3333333333333%
Weight
125.095
Programa de Cálculo
G16
SMILES
[NH]C1=N[N]N[N]N=C1[NH]
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H5N7/c3-1-2(4)6-8-9-7-5-1/h3-4,7-9H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZBWODENNHUQXCN-UHFFFAOYSA-N