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January 28, 2026
C7H9N
Datos Químicos de C7H9N
ID
14355
Molecular Scaffold
daV@@@RikRdXnjjjAQDP@
Molecular Formula
C7H9N
Elemental Composition %
C: 41.1764705882353%
H: 52.9411764705882%
O: 0%
N: 5.88235294117647%
Weight
107.155
Programa de Cálculo
G16
SMILES
C1[C@]2(C=CC3)N3[C@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N/c1-2-7-4-6(5-7)8(7)3-1/h1-2,6,8H,3-5H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OSGFCAPOOJKGEV-UHFFFAOYSA-N