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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
71052
Molecular Scaffold
dne@@@IJfTsJIjjjlBPdPOxRLI@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C[C@@]12N3[C@@]1(C)C[N][C@@]3C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H13N2/c1-6-3-5-8-4-7(6,2)9(5)6/h5,8-9H,3-4H2,1-2H3/t5-,6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RSWRIPCZIDDTOK-QYNIQEEDSA-N