Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H6N2
Datos Químicos de C7H6N2
ID
24176
Molecular Scaffold
diU@@@iJUmJnEifi@@
Molecular Formula
C7H6N2
Elemental Composition %
C: 46.6666666666667%
H: 40%
O: 0%
N: 13.3333333333333%
Weight
118.139
Programa de Cálculo
G16
SMILES
c1cn(ccnc2)c2c1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H6N2/c1-2-7-6-8-3-5-9(7)4-1/h1-6H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QSLLFYVBWXWUQT-UHFFFAOYSA-N