Geometry & MOs

Info

ID:	332858
PubChem CID:	127251282
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	30.75
Dipole, Da:	7.89
IP(EA), eV:	-8.68(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[3-[3-(2-phenylethylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]pyridin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=C5

DOS

IR

Vibrations