Geometry & MOs

Info

ID:	332824
PubChem CID:	127251248
Reduced:	ON6C24H30 (1)
Stoich.:	AB6C24D30 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	31.51
Dipole, Da:	4.9
IP(EA), eV:	-8.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations