Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7N3
Datos Químicos de C5H7N3
ID
10144
Molecular Formula
C5H7N3
Elemental Composition %
C: 33.3333333333333%
H: 46.6666666666667%
O: 0%
N: 20%
Weight
109.132
Programa de Cálculo
G16
SMILES
NCCC(C#N)C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N3/c6-2-1-5(3-7)4-8/h5H,1-2,6H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ILSBTMBEFGEZOJ-UHFFFAOYSA-N