Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6N4
Datos Químicos de C4H6N4
ID
21639
Molecular Scaffold
dnG@@@bdierbZZjhq@aLrd@
Molecular Formula
C4H6N4
Elemental Composition %
C: 28.5714285714286%
H: 42.8571428571429%
O: 0%
N: 28.5714285714286%
Weight
110.12
Programa de Cálculo
G16
SMILES
NC1=NN(CC2)[C@@]2[N]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N4/c5-4-6-3-1-2-8(3)7-4/h3H,1-2H2,(H3,5,6,7)/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GMQCWVJBQVVEFV-GSVOUGTGSA-N