Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
114293
Molecular Scaffold
gJx@@eLmcUTiM@@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
CCN(C[C@@H]12)[C@@H]1[C@@H]2C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-2-9-4-6-5(3-8)7(6)9/h5-7H,2,4H2,1H3/t5-,6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XRYXWSOMSOFCLD-QYNIQEEDSA-N