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January 28, 2026
C7H7N
Datos Químicos de C7H7N
ID
133814
Molecular Scaffold
daf@@@Ri]rfzjji@eHG|UFIaIVMfhJ@
Molecular Formula
C7H7N
Elemental Composition %
C: 46.6666666666667%
H: 46.6666666666667%
O: 0%
N: 6.66666666666667%
Weight
105.14
Programa de Cálculo
G16
SMILES
C1N2[CH][C][CH]C[C@]1[CH]2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H9N/c1-2-4-8-5-7(3-1)6-8/h1,4-5,7-8H,3,6H2/t7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FJSKIAJVRDJCSI-ZETCQYMHSA-N