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January 28, 2026
C7H14N2
Datos Químicos de C7H14N2
ID
99984
Molecular Formula
C7H14N2
Elemental Composition %
C: 30.4347826086957%
H: 60.8695652173913%
O: 0%
N: 8.69565217391304%
Weight
126.202
Programa de Cálculo
G16
SMILES
CCC(C)(C)[C@H](C#N)N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H14N2/c1-4-7(2,3)6(9)5-8/h6H,4,9H2,1-3H3/t6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YJCOMZGPXIZCOF-LURJTMIESA-N