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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
124947
Molecular Scaffold
dae@@@aJW[B[iji`@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
Cc1c(C2CC2)cn[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-5-7(4-8-9-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BUPZISVIAAEERZ-UHFFFAOYSA-N