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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
41265
Molecular Scaffold
diM@@@EJfgPlZaxZjjjlQEAP@
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(C1)C23N1[C@@H](C1)[C@H]2N1C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H12N2/c1-2-9-5-3-8-4-7(1,9)6(5)8/h5-6,8-9H,1-4H2/t5-,6+,7?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CEWMTXDDCPHCNZ-JEAXJGTLSA-N