Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8N2
Datos Químicos de C7H8N2
ID
72052
Molecular Scaffold
dfF@@@RfTsJJjjjRET@
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@]1([C@@H]2C3)N[C@@H]3[C@]12C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8N2/c1-6-4-2-5(9-6)7(4,6)3-8/h4-5,9H,2H2,1H3/t4-,5+,6+,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SNDWCOAAEXHEBP-BDVNFPICSA-N