Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6N2O2
Datos Químicos de C4H6N2O2
ID
15740
Molecular Scaffold
eOHBNZ`@
Molecular Formula
C4H6N2O2
Elemental Composition %
C: 28.5714285714286%
H: 42.8571428571429%
O: 14.2857142857143%
N: 14.2857142857143%
Weight
114.104
Programa de Cálculo
G16
SMILES
N=C([C@@H]1OC1)NC=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N2O2/c5-4(6-2-7)3-1-8-3/h2-3H,1H2,(H2,5,6,7)/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YKJCUCYCDSHLLA-GSVOUGTGSA-N