Geometry & MOs

Info

ID:	332864
PubChem CID:	127251288
Reduced:	ON6C26H34 (1)
Stoich.:	AB6C26D34 (1)
Weight, g/mol:	446.186652
ΔH_f, kcal/mol:	30.26
Dipole, Da:	5.03
IP(EA), eV:	-8.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=C5

DOS

IR

Vibrations