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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
71808
Molecular Scaffold
dau@@@yJf]LrbYnjjjj`dIDRZ@@
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(C2)N3[C@@H]2[C@H]2N[C@H]2[C@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-7-2-3-4-5(8-4)6(7)9(3)7/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QMGPDRXKNLJLCG-IECVIRLLSA-N