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January 28, 2026
C7H11N
Datos Químicos de C7H11N
ID
20134
Molecular Scaffold
daV@@@rRJFIeLwUUUVPbSH@
Molecular Formula
C7H11N
Elemental Composition %
C: 36.8421052631579%
H: 57.8947368421053%
O: 0%
N: 5.26315789473684%
Weight
109.171
Programa de Cálculo
G16
SMILES
C(C1)N1[C@@H]1[C@@H](C2)[C@@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N/c1-2-8(1)7-4-5-3-6(5)7/h5-7H,1-4H2/t5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MRASDWDUGNKNKH-ACZMJKKPSA-N