Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H7N3O
Datos Químicos de C4H7N3O
ID
21944
Molecular Scaffold
gK@ADeKbuH@
Molecular Formula
C4H7N3O
Elemental Composition %
C: 26.6666666666667%
H: 46.6666666666667%
O: 6.66666666666667%
N: 20%
Weight
113.12
Programa de Cálculo
G16
SMILES
OCCc1cnn[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N3O/c8-2-1-4-3-5-7-6-4/h3,8H,1-2H2,(H,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HJEVQOSZWIDFQJ-UHFFFAOYSA-N