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January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
38015
Molecular Scaffold
diO@@@xTjYyJqjEnjjjjjDbIUF`OxPly@
Molecular Formula
C6H7N3
Elemental Composition %
C: 37.5%
H: 43.75%
O: 0%
N: 18.75%
Weight
121.143
Programa de Cálculo
G16
SMILES
C1N2[C@@H]3[C@@]4[N][C@H]1[C@H]2[C@H]3N4
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N3/c1-2-4-3-5(9(1)4)6(7-2)8-3/h2-9H,1H2/t2-,3-,4-,5+,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FQVMMUIPCPFTDH-DGPNFKTASA-N