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January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
39738
Molecular Scaffold
diO@@@Kdj[yLRb[ajjjjhIDQYJ`OxRLI@
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@]2N3[C@@H]1[C@H]3C[N]2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N3/c1-3-4-6(2-8-6)5(7-1)9(3)4/h3-5,7-9H,1-2H2/t3-,4+,5+,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HZGWAVPDUQTOMT-SLPGGIOYSA-N