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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
79031
Molecular Scaffold
dau@@@yJ[ULPjYnjjjihRSDTiM@@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
CN1[C@@H]2[C@@H]3[C@H]1[C@H]2[C@@H]1N[C@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-9-6-2-4-5(8-4)3(6)7(2)9/h2-8H,1H3/t2-,3+,4-,5-,6+,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PEGGEUFGUQZVNQ-IFGBLCKLSA-N