Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H7N3O
Datos Químicos de C4H7N3O
ID
7302
Molecular Formula
C4H7N3O
Elemental Composition %
C: 26.6666666666667%
H: 46.6666666666667%
O: 6.66666666666667%
N: 20%
Weight
113.12
Programa de Cálculo
G16
SMILES
N[C@@H](CC#N)C(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N3O/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H2,7,8)/t3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JWQGLHCLFDIMHE-VKHMYHEASA-N