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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
90805
Molecular Scaffold
dau@@@yJeVDJjynjjjhhbHiR@
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@@H](C1)N2[C@@H]3[C@H]2[C@@H]2N1[C@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-3-2-8-4-5(8)7-6(4)9(3)7/h3-7H,2H2,1H3/t3-,4-,5+,6+,7-,8?,9?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GWLBLNRSUQQUIP-QUMLHZLNSA-N