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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
92032
Molecular Scaffold
daV@@@RigSBinjjjlaHb`@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
O[C@@H]1[C@H](C2)[C@H]2N(C2)[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c9-7-1-4-3-8(4)6-2-5(6)7/h4-7,9H,1-3H2/t4-,5-,6-,7+,8?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZGIVUJGBTTWACG-IYWGXSQHSA-N