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January 28, 2026
C8H15N
Datos Químicos de C8H15N
ID
112971
Molecular Scaffold
dnF@@@rRJELijjj@@
Molecular Formula
C8H15N
Elemental Composition %
C: 33.3333333333333%
H: 62.5%
O: 0%
N: 4.16666666666667%
Weight
125.214
Programa de Cálculo
G16
SMILES
CC[C@H](C1)C[C@@H]1N1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H15N/c1-2-7-5-8(6-7)9-3-4-9/h7-8H,2-6H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PEEVWHTUCQMGHL-UHFFFAOYSA-N