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January 28, 2026
C5H9N
Datos Químicos de C5H9N
ID
703
Molecular Scaffold
gGx@@eSKFuUP@
Molecular Formula
C5H9N
Elemental Composition %
C: 33.3333333333333%
H: 60%
O: 0%
N: 6.66666666666667%
Weight
83.1335
Programa de Cálculo
G16
SMILES
C(C1)C1N1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DJVCSJVSNIUECK-UHFFFAOYSA-N