Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H7N3O2
Datos Químicos de C4H7N3O2
ID
29643
Molecular Scaffold
gFu@LPeLfts@@
Molecular Formula
C4H7N3O2
Elemental Composition %
C: 25%
H: 43.75%
O: 12.5%
N: 18.75%
Weight
129.119
Programa de Cálculo
G16
SMILES
CN(C(O)=C(N)O1)C1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N3O2/c1-7-3(8)2(5)9-4(7)6/h6,8H,5H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BOVYTRBPJFPGDW-UHFFFAOYSA-N