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January 28, 2026
CH3N7
Datos Químicos de CH3N7
ID
21493
Molecular Scaffold
gKZ@AEbeKcKP@
Molecular Formula
CH3N7
Elemental Composition %
C: 9.09090909090909%
H: 27.2727272727273%
O: 0%
N: 63.6363636363636%
Weight
113.084
Programa de Cálculo
G16
SMILES
NC(n1nnnn1)=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/CH3N7/c2-1(3)8-6-4-5-7-8/h(H3,2,3)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UEHPOAIMDLABQP-UHFFFAOYSA-N