Geometry & MOs

Info

ID:	122249
PubChem CID:	50799594
Reduced:	O2F4N4H18C23 (1)
Stoich.:	A2B4C4D18E23 (1)
Weight, g/mol:	454.16166
ΔH_f, kcal/mol:	-177.14
Dipole, Da:	1.52
IP(EA), eV:	-9.0(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=NC3=C(C(=C2)C(F)(F)F)C(=NN3C)C4=CC=CC=C4)F

DOS

IR

Vibrations