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January 28, 2026
C8H15N
Datos Químicos de C8H15N
ID
57451
Molecular Scaffold
gJx@@eSLcUT`h`@
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)(C)[C@@H]1N(C2)[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H16N/c1-8(2,3)7-4-6-5-9(6)7/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WVDLTWLVYVKDAL-NKWVEPMBSA-N