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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
111338
Molecular Scaffold
dnf@@@ReZDpjZjjiHRP@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
CO[C@@H]1C2(CC2)[C@@H]2N[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-9-6-4-5(8-4)7(6)2-3-7/h4-6,8H,2-3H2,1H3/t4-,5-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RTOBSJDCUFDTBQ-PBXRRBTRSA-N