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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
65585
Molecular Scaffold
gGp@DjVXvjjPTP@
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[C@@]1(C[C@H](C2)[C@H]2C1)C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c8-4-7(9)2-5-1-6(5)3-7/h5-6H,1-3,9H2/t5-,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VXKIFVUDCDQWSF-PHDIDXHHSA-N