Geometry & MOs

Info

ID:	349854
PubChem CID:	127276246
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	7.35
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trimethyl-5-[3-oxo-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1CN2CCCCC2)OC3=CC=CC=C3C#N

DOS

IR

Vibrations