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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
38798
Molecular Scaffold
diM@@@EJfUPlZaxZjjjbaILaH@
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](C4)[C@H]2N4C[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H12N2/c1-4-2-8-3-6-7(8)5(1)9(4)6/h4-9H,1-3H2/t4-,5+,6+,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CDKWCQHQIGRWMS-JRTVQGFMSA-N