Geometry & MOs

Info

ID:	59141
PubChem CID:	24771192
Reduced:	ClNO8H28C29 (1)
Stoich.:	ABC8D28E29 (1)
Weight, g/mol:	199.074562
ΔH_f, kcal/mol:	-260.59
Dipole, Da:	5.43
IP(EA), eV:	-8.4(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

Drug info:

PubChemData

Smile

CCCC1=C(C2=C(CN1C)C(=O)C3=C(C2=O)C=CC4=C3C(=C5CC6=C(C(CC(C6O)O)O)OC5=C4OC)O)Cl

DOS

IR

Vibrations