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January 28, 2026
C7H9N
Datos Químicos de C7H9N
ID
17745
Molecular Scaffold
dnV@@@RieJplXfjjjjBILQQd@
Molecular Formula
C7H9N
Elemental Composition %
C: 41.1764705882353%
H: 52.9411764705882%
O: 0%
N: 5.88235294117647%
Weight
107.155
Programa de Cálculo
G16
SMILES
C[C@]1(C2)N3[C@@H]2[C@@H]2[C@H]3[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N/c1-7-2-3-4-5(7)6(4)8(3)7/h3-6,8H,2H2,1H3/t3-,4+,5-,6+,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WWZBLQXSIMRWHB-IBISWUOJSA-N