Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H6N2
Datos Químicos de C7H6N2
ID
24469
Molecular Scaffold
diU@@@iJYYinFYfi@@
Molecular Formula
C7H6N2
Elemental Composition %
C: 46.6666666666667%
H: 40%
O: 0%
N: 13.3333333333333%
Weight
118.139
Programa de Cálculo
G16
SMILES
C1=CC2=CNC=NC2=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H6N2/c1-2-6-4-8-5-9-7(6)3-1/h1-5H,(H,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LTFBFZBWUKWXID-UHFFFAOYSA-N