Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8N2
Datos Químicos de C7H8N2
ID
37259
Molecular Scaffold
dim@@@yJfwSDhj[nFjjjjxEBRXbeQh@
Molecular Formula
C7H8N2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 0%
N: 11.7647058823529%
Weight
120.155
Programa de Cálculo
G16
SMILES
C1N2[C@H]([C@@H]34)[C@H]3N3[C@H]4[C@@H]3[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H9N2/c1-2-4-6-3-5(8(1)2)7(3)9(4)6/h2-7,9H,1H2/t2-,3-,4-,5+,6-,7+,8?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QXDUZJHESJPEET-IINSYYRISA-N