Geometry & MOs

Info

ID:	166582
PubChem CID:	74712235
Reduced:	NO4H23C28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	482.02392
ΔH_f, kcal/mol:	-45.71
Dipole, Da:	2.66
IP(EA), eV:	-8.88(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-bromo-2-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OC)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C52

DOS

IR

Vibrations