Geometry & MOs

Info

ID:	332815
PubChem CID:	127251239
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	48.67
Dipole, Da:	2.35
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC3=C(C=C2)C(=NN3)NCC4=CC=CC=N4)C(=O)COC5=CC=CC=C5

DOS

IR

Vibrations