Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8N2
Datos Químicos de C7H8N2
ID
24316
Molecular Scaffold
diu@@@IJfYsbFfjjjd`dQIdABQbX
Molecular Formula
C7H8N2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 0%
N: 11.7647058823529%
Weight
120.155
Programa de Cálculo
G16
SMILES
C1[C@](C=C2)N3[C@]2NC[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-2-7-8-4-6-3-5(1)9(6)7/h1-2,5-9H,3-4H2/t5-,6+,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IBOXSVGLXAKGIB-RRKCRQDMSA-N