Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
86017
Molecular Scaffold
gKP@DiVj@@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C[C@@H](C1)C=C[C@]1(C#N)N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-6-2-3-7(9,4-6)5-8/h2-3,6H,4,9H2,1H3/t6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RUMAPHXXTWMDCK-BQBZGAKWSA-N