Geometry & MOs

Info

ID:	354065
PubChem CID:	127285864
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	386.206639
ΔH_f, kcal/mol:	-77.6
Dipole, Da:	13.58
IP(EA), eV:	-8.64(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)N3CCC(CC3)N4CCNC4=O

DOS

IR

Vibrations