Geometry & MOs

Info

ID:	72966
PubChem CID:	48416740
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	400.222289
ΔH_f, kcal/mol:	-101.41
Dipole, Da:	7.99
IP(EA), eV:	-9.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CC(=O)N(C2)CC3=CC=CC=N3)N4CCNC4=O

DOS

IR

Vibrations