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January 28, 2026
C8H15N
Datos Químicos de C8H15N
ID
89002
Molecular Scaffold
daf@@@RgYaFzjjjH`@
Molecular Formula
C8H15N
Elemental Composition %
C: 33.3333333333333%
H: 62.5%
O: 0%
N: 4.16666666666667%
Weight
125.214
Programa de Cálculo
G16
SMILES
CN1[C@H](CC2CCC2)C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H15N/c1-9-6-8(9)5-7-3-2-4-7/h7-8H,2-6H2,1H3/t8-,9?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZMGKSPWNXJIESK-IENPIDJESA-N