Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
40020
Molecular Scaffold
diu@@@yJevcJ[ajijiHeH@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C1N(C2)[C@@H]1C=C[C@]21NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-2-7(4-8-7)5-9-3-6(1)9/h1-2,6,8H,3-5H2/t6-,7+,9?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NABKYDFMNRWKPT-PMDVUHRTSA-N