Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H14N2
Datos Químicos de C7H14N2
ID
113220
Molecular Scaffold
gGt@@TizHvjjfP@
Molecular Formula
C7H14N2
Elemental Composition %
C: 30.4347826086957%
H: 60.8695652173913%
O: 0%
N: 8.69565217391304%
Weight
126.202
Programa de Cálculo
G16
SMILES
CC[C@H]1N[C@]1(C)[C@@H]1NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H14N2/c1-3-5-7(2,9-5)6-4-8-6/h5-6,8-9H,3-4H2,1-2H3/t5-,6+,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BLMXVXAVRHYLMH-XVMARJQXSA-N