Geometry & MOs

Info

ID:	332831
PubChem CID:	127251255
Reduced:	FON6H23C24 (1)
Stoich.:	ABC6D23E24 (1)
Weight, g/mol:	443.212139
ΔH_f, kcal/mol:	27.8
Dipole, Da:	4.38
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[3-[3-(2-phenylethylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC3=C(C=C2)C(=NN3)NCC4=CC=CC=N4)C(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations