Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H12N2
Datos Químicos de C7H12N2
ID
110640
Molecular Scaffold
dfE@@@iJUaLHjjjkDfHh@
Molecular Formula
C7H12N2
Elemental Composition %
C: 33.3333333333333%
H: 57.1428571428571%
O: 0%
N: 9.52380952380952%
Weight
124.186
Programa de Cálculo
G16
SMILES
CCN1[C@@]2(C)[C@@H]1[C@H]1N[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H12N2/c1-3-9-6-4-5(8-4)7(6,9)2/h4-6,8H,3H2,1-2H3/t4-,5-,6+,7+,9?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
STNFMRLRIUZZAV-WWGPLIPVSA-N