Geometry & MOs

Info

ID:	364918
PubChem CID:	127316564
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-77.21
Dipole, Da:	2.58
IP(EA), eV:	-8.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-cyclobutylpiperazin-1-yl)-3-oxopropyl]-1,3,4-trimethyl-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)NC(=O)C4CC4

DOS

IR

Vibrations