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January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
39714
Molecular Scaffold
diO@@@[djUZDJj[ajjjjhIBRDj`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
C1N[C@@]11[C@H]2[N][CH]N3[C@@H]1[C@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9N3/c1-6(8-1)4-3-5(6)9(3)2-7-4/h2-5,7-9H,1H2/t3-,4-,5-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LFFFXXZEZOPEAC-BXKVDMCESA-N