Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H12N2
Datos Químicos de C7H12N2
ID
119194
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C7H12N2
Elemental Composition %
C: 33.3333333333333%
H: 57.1428571428571%
O: 0%
N: 9.52380952380952%
Weight
124.186
Programa de Cálculo
G16
SMILES
CCC[C@]1(C#N)N(C)C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H12N2/c1-3-4-7(5-8)6-9(7)2/h3-4,6H2,1-2H3/t7-,9?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JOVBRQQPBQXJBF-YOXFSPIKSA-N