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January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
37548
Molecular Scaffold
diO@@@xTjZuBRjEnjjjjhEBRDj`OxSLy@
Molecular Formula
C6H7N3
Elemental Composition %
C: 37.5%
H: 43.75%
O: 0%
N: 18.75%
Weight
121.143
Programa de Cálculo
G16
SMILES
C1[N][CH]N2[C@]11[C@H]3N[C@@H]1[C@@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9N3/c1-6-4-3(5(6)8-4)9(6)2-7-1/h2-5,7-9H,1H2/t3-,4-,5-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ILDAHPAZIFUCBK-KAZBKCHUSA-N