Geometry & MOs

Info

ID:	122055
PubChem CID:	50791345
Reduced:	O3F4N4H18C20 (1)
Stoich.:	A3B4C4D18E20 (1)
Weight, g/mol:	432.17731
ΔH_f, kcal/mol:	-235.14
Dipole, Da:	3.77
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxy-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)OCC(=O)N3CCOCC3)C(F)(F)F)C4=CC(=CC=C4)F

DOS

IR

Vibrations