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January 28, 2026
C6H11N
Datos Químicos de C6H11N
ID
1900
Molecular Scaffold
gJx@@eRccUT@@
Molecular Formula
C6H11N
Elemental Composition %
C: 33.3333333333333%
H: 61.1111111111111%
O: 0%
N: 5.55555555555556%
Weight
97.1603
Programa de Cálculo
G16
SMILES
C[C@H]1N2C[C@]1(C)C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11N/c1-5-6(2)3-7(5)4-6/h5H,3-4H2,1-2H3/t5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MSXLMFVBHQTLBY-RXMQYKEDSA-N