Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
24229
Molecular Scaffold
diw@@@kdie[J[nFVjjdI`@
Molecular Formula
C6H7N3
Elemental Composition %
C: 37.5%
H: 43.75%
O: 0%
N: 18.75%
Weight
121.143
Programa de Cálculo
G16
SMILES
C1N(C2)[C@H]1c1c2[nH]cn1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8N3/c1-4-6(8-3-7-4)5-2-9(1)5/h3,5,9H,1-2H2,(H,7,8)/t5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OOMJERANZRBJSG-RXMQYKEDSA-N