Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N2
Datos Químicos de C5H6N2
ID
3649
Molecular Scaffold
dnE@@@aJYhffjX@@
Molecular Formula
C5H6N2
Elemental Composition %
C: 38.4615384615385%
H: 46.1538461538462%
O: 0%
N: 15.3846153846154%
Weight
94.1166
Programa de Cálculo
G16
SMILES
C1c2ccnn2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6N2/c1-3-6-7-4-2-5(1)7/h1,3H,2,4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XBWVEUMSRYWKPN-UHFFFAOYSA-N