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January 28, 2026
C7H13NO
Datos Químicos de C7H13NO
ID
104038
Molecular Scaffold
gGx@@eRsFuURBb@
Molecular Formula
C7H13NO
Elemental Composition %
C: 31.8181818181818%
H: 59.0909090909091%
O: 4.54545454545455%
N: 4.54545454545455%
Weight
127.186
Programa de Cálculo
G16
SMILES
C[C@]1(CN(C2)[C@H]2C1)OC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H14NO/c1-7(9-2)3-6-4-8(6)5-7/h6,8H,3-5H2,1-2H3/t6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KLEKCBSODCZVKQ-BQBZGAKWSA-N