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January 28, 2026
C8H15N
Datos Químicos de C8H15N
ID
88680
Molecular Scaffold
gGx@@eSKFuUP@
Molecular Formula
C8H15N
Elemental Composition %
C: 33.3333333333333%
H: 62.5%
O: 0%
N: 4.16666666666667%
Weight
125.214
Programa de Cálculo
G16
SMILES
C[C@@H](C1)[C@@H]1N1C(C)(C)C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H15N/c1-6-4-7(6)9-5-8(9,2)3/h6-7H,4-5H2,1-3H3/t6-,7-,9?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KZIOXLXZNCZPGR-UMPGHQJDSA-N