Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H7N5
Datos Químicos de C4H7N5
ID
129237
Molecular Scaffold
diV`@@aLYJVvpnEjfj@@
Molecular Formula
C4H7N5
Elemental Composition %
C: 25%
H: 43.75%
O: 0%
N: 31.25%
Weight
125.135
Programa de Cálculo
G16
SMILES
N=C1N(C2CC2)N=NN1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N5/c5-4-6-7-8-9(4)3-1-2-3/h3H,1-2H2,(H2,5,6,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JHFQXSPIQIBJHP-UHFFFAOYSA-N