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January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
123550
Molecular Scaffold
diw@@@cDi[[B[fFZjfdjL`@
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[C@H]2c3n[nH]nc3[C@@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H7N3/c1-3-2-4(1)6-5(3)7-9-8-6/h3-4H,1-2H2,(H,7,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HGJSXFFFVAXTNA-UHFFFAOYSA-N