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January 28, 2026
C7H8N2
Datos Químicos de C7H8N2
ID
38002
Molecular Scaffold
diM@@@yJevaLIaxZjjjfAQDQJhJABEcX
Molecular Formula
C7H8N2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 0%
N: 11.7647058823529%
Weight
120.155
Programa de Cálculo
G16
SMILES
C1N2[C@@H]3[C@@]1[CH][C@@H]1N[C@@H]1[C@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-3-2-9-6(3)7(9)5-4(1)8-5/h1,3-9H,2H2/t3-,4+,5+,6+,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YZIAFKVNKGESEA-PFCGLBSHSA-N