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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
79745
Molecular Scaffold
dnf@@@ReZDJjZjjkHbKH@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C[C@@H]([C@H]1[C@H]2N[C@H]2C2)[C@@]12O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-3-5-6-4(8-6)2-7(3,5)9/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JKSHXCUGPQMZHC-IECVIRLLSA-N