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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
90613
Molecular Scaffold
dnf@@@ReVDpjZjjkDVPd@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C[C@]1([C@@H]2C3)N[C@H]1[C@H]2[C@H]3O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-7-3-2-4(9)5(3)6(7)8-7/h3-6,8-9H,2H2,1H3/t3-,4-,5+,6+,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BOLBXCAFIINMTA-PAMBMQIZSA-N