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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
26477
Molecular Scaffold
dae@@@YJY{J[jYj`@
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@]1(c2ccc[nH]2)NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-7(5-9-7)6-3-2-4-8-6/h2-4,8-9H,5H2,1H3/t7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CRYKCKYASHJRHR-ZETCQYMHSA-N