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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
40611
Molecular Scaffold
diM@@@yJeVaLjfxZjjjfBPdfPeR@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C1[C@H]2N3[C@@H]([C@@H]4NC4)[C@H]3[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-3-5(1)9-6(3)7(9)4-2-8-4/h3-9H,1-2H2/t3-,4+,5-,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SBQZCRDMLKYHBO-MLKOFDEISA-N