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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
90635
Molecular Scaffold
gJx@@eSLcUTaI@@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C[C@@H](C[C@H]12)N1[C@]2(C)C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-5-3-6-7(2,4-8)9(5)6/h5-6,9H,3H2,1-2H3/t5-,6+,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BNSCJIZZNMCGSU-DSYKOEDSSA-N