Geometry & MOs

Info

ID:	332854
PubChem CID:	127251278
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	12.1
Dipole, Da:	3.87
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-methyl-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

CN(C)CC(=O)N1CCC(C1)C2=NC3=C(C=C2)C(=NN3)NCC4=CC=CC=C4OC

DOS

IR

Vibrations