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January 28, 2026
C7H11N
Datos Químicos de C7H11N
ID
19063
Molecular Scaffold
dnf@@@ReZDJbZjjhhbKHR@
Molecular Formula
C7H11N
Elemental Composition %
C: 36.8421052631579%
H: 57.8947368421053%
O: 0%
N: 5.26315789473684%
Weight
109.171
Programa de Cálculo
G16
SMILES
CN1[C@@H]2[C@H](C3)C[C@H]3[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N/c1-8-6-4-2-5(3-4)7(6)8/h4-7H,2-3H2,1H3/t4?,5?,6-,7+,8?
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DHUQDELUBRKAFR-GLXUGZOWSA-N