Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H4N2O
Datos Químicos de C4H4N2O
ID
2820
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C4H4N2O
Elemental Composition %
C: 36.3636363636364%
H: 36.3636363636364%
O: 9.09090909090909%
N: 18.1818181818182%
Weight
96.0888
Programa de Cálculo
G16
SMILES
N#C[C@@H]1N[C@@H]1C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N2O/c5-1-3-4(2-7)6-3/h2-4,6H/t3-,4-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MYDLNNCDAUSWLX-QWWZWVQMSA-N