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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
36402
Molecular Scaffold
gGx@@eOKFuUP@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
N#CCN1CC2(CC2)C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c8-3-4-9-5-7(6-9)1-2-7/h1-2,4-6H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HLIZWVOBTDYGEU-UHFFFAOYSA-N