Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H7N3
Datos Químicos de C4H7N3
ID
2502
Molecular Formula
C4H7N3
Elemental Composition %
C: 28.5714285714286%
H: 50%
O: 0%
N: 21.4285714285714%
Weight
97.1206
Programa de Cálculo
G16
SMILES
CN/C(/C#N)=N/C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N3/c1-6-4(3-5)7-2/h1-2H3,(H,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SJBIMAKRAWYITB-UHFFFAOYSA-N