Geometry & MOs

Info

ID:	426556
PubChem CID:	135147565
Reduced:	BrN2O2F3C11H12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	406.222957
ΔH_f, kcal/mol:	-208.48
Dipole, Da:	3.38
IP(EA), eV:	-10.99(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-ethoxypyridin-3-yl)-1-methyl-N-[(2-methyltriazol-4-yl)methyl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-amine

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=NC(=NC(=C1)CBr)C(F)(F)F

DOS

IR

Vibrations