Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8N2
Datos Químicos de C7H8N2
ID
37673
Molecular Scaffold
dim@@@yJfuSDInX^FjjjjDEDRXbcKhJ@
Molecular Formula
C7H8N2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 0%
N: 11.7647058823529%
Weight
120.155
Programa de Cálculo
G16
SMILES
C([C@H]12)[C@H]3N4[C@@H]5[C@H]3N1[C@H]2[C@H]45
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-2-4-6-7-5(8(2)4)3(1)9(6)7/h2-9H,1H2/t2-,3-,4-,5-,6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UHOBNKNQTCEAFX-ZGGPPPIHSA-N