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January 28, 2026
C7H14N2
Datos Químicos de C7H14N2
ID
122076
Molecular Formula
C7H14N2
Elemental Composition %
C: 30.4347826086957%
H: 60.8695652173913%
O: 0%
N: 8.69565217391304%
Weight
126.202
Programa de Cálculo
G16
SMILES
CCCN[C@@H](CC)C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H14N2/c1-3-5-9-7(4-2)6-8/h7,9H,3-5H2,1-2H3/t7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZBHDPWYDXUHXAV-ZETCQYMHSA-N