Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8N2
Datos Químicos de C7H8N2
ID
79302
Molecular Scaffold
dfF@@@RfTsJJjjjrDdj@@
Molecular Formula
C7H8N2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 0%
N: 11.7647058823529%
Weight
120.155
Programa de Cálculo
G16
SMILES
C[C@@H]([C@H]12)[C@@H]3N[C@H]2[C@@]13C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8N2/c1-3-4-6-7(4,2-8)5(3)9-6/h3-6,9H,1H3/t3-,4+,5+,6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SRXZKFJBNKYDTD-VOQCIKJUSA-N