Geometry & MOs

Info

ID:	354155
PubChem CID:	127286086
Reduced:	O4N5C16H23 (1)
Stoich.:	A4B5C16D23 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	6.64
IP(EA), eV:	-9.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCN(CC2)C(=O)CN3C(=O)CCC3=O

DOS

IR

Vibrations