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January 28, 2026
CH3N5
Datos Químicos de CH3N5
ID
753
Molecular Scaffold
gFz@AEjeKxmS@@
Molecular Formula
CH3N5
Elemental Composition %
C: 11.1111111111111%
H: 33.3333333333333%
O: 0%
N: 55.5555555555556%
Weight
85.0698
Programa de Cálculo
G16
SMILES
N=C1NN=NN1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ULRPISSMEBPJLN-UHFFFAOYSA-N