Geometry & MOs

Info

ID:	332846
PubChem CID:	127251270
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	3.63
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[3-[3-(2-phenylethylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=C5

DOS

IR

Vibrations