Geometry & MOs

Info

ID:	332835
PubChem CID:	127251259
Reduced:	ON6C23H28 (1)
Stoich.:	AB6C23D28 (1)
Weight, g/mol:	418.24811
ΔH_f, kcal/mol:	36.94
Dipole, Da:	3.71
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=N5

DOS

IR

Vibrations