Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6N4
Datos Químicos de C4H6N4
ID
8647
Molecular Formula
C4H6N4
Elemental Composition %
C: 28.5714285714286%
H: 42.8571428571429%
O: 0%
N: 28.5714285714286%
Weight
110.12
Programa de Cálculo
G16
SMILES
NCC(C#N)(C#N)N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N4/c5-1-4(8,2-6)3-7/h1,5,8H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZADSTVYBFLFXCF-UHFFFAOYSA-N