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January 28, 2026
C5H11N
Datos Químicos de C5H11N
ID
475
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C5H11N
Elemental Composition %
C: 29.4117647058824%
H: 64.7058823529412%
O: 0%
N: 5.88235294117647%
Weight
85.1493
Programa de Cálculo
G16
SMILES
C[C@H]1N(C)[C@H]1C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FACHDUAMWHEPML-XEAPYIEGSA-N