Geometry & MOs

Info

ID:	347495
PubChem CID:	127272350
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	394.175339
ΔH_f, kcal/mol:	-151.03
Dipole, Da:	1.61
IP(EA), eV:	-8.92(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations