Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H7N3O2
Datos Químicos de C4H7N3O2
ID
55009
Molecular Scaffold
dnFD@JADfVIjYjjdqM@@
Molecular Formula
C4H7N3O2
Elemental Composition %
C: 25%
H: 43.75%
O: 12.5%
N: 18.75%
Weight
129.119
Programa de Cálculo
G16
SMILES
NC([C@H]1N[C@@H]11)(N)OC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N3O2/c5-4(6)2-1(7-2)3(8)9-4/h1-2,7H,5-6H2/t1-,2+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SCBFLQFFTOJKGZ-NCGGTJAESA-N