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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
40550
Molecular Scaffold
diu@@@{IDeCHPjxZijjrDdY@@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C1N[C@H]1C1=CC[C@H]2N[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-2-5-7(9-5)4(1)6-3-8-6/h1,5-9H,2-3H2/t5-,6+,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QYBGIVYONQRSPL-RRKCRQDMSA-N