Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
84243
Molecular Scaffold
dne@@@qJYRhfijjjbbDjcHG|HBQ`
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]1[N][C@]2N[C@H]3[C@]1(C)[C@@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H12N2/c1-3-7(2)4-5(7)9-6(4)8-3/h3-6,8-9H,1-2H3/t3-,4-,5-,6+,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VEJZUNAEFIJUOB-OVHBTUCOSA-N