Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7N3O
Datos Químicos de C5H7N3O
ID
26537
Molecular Scaffold
gFy@LDiTvfdADV@
Molecular Formula
C5H7N3O
Elemental Composition %
C: 31.25%
H: 43.75%
O: 6.25%
N: 18.75%
Weight
125.131
Programa de Cálculo
G16
SMILES
CC1=C([NH])N=CO[C@]1N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N3O/c1-3-4(6)8-2-9-5(3)7/h2,5-6H,7H2,1H3/t5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VGOZIEVGGUFOSB-RXMQYKEDSA-N