Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8N2
Datos Químicos de C7H8N2
ID
28779
Molecular Scaffold
daf@@@RieKjZieh@@
Molecular Formula
C7H8N2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 0%
N: 11.7647058823529%
Weight
120.155
Programa de Cálculo
G16
SMILES
Nc1ccc2n1C=CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8N2/c8-7-4-3-6-2-1-5-9(6)7/h1,3-5H,2,8H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BVBUOQBVUXPYJC-UHFFFAOYSA-N