Geometry & MOs

Info

ID:	332798
PubChem CID:	127251222
Reduced:	FN6C24H25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	67.65
Dipole, Da:	3.09
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC2=NNC3=C2C=CC(=N3)C4CCN(C4)CC5=CC=CC=C5F

DOS

IR

Vibrations