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January 28, 2026
C8H15N
Datos Químicos de C8H15N
ID
89057
Molecular Scaffold
daf@@@rREJPc]UUT@@
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]1N(CCC2CC2)C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H15N/c1-7-6-9(7)5-4-8-2-3-8/h7-8H,2-6H2,1H3/t7-,9?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PHLMVVXDQZSMEW-YOXFSPIKSA-N