Geometry & MOs

Info

ID:	1768
PubChem CID:	5017
Reduced:	ClO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	398.105165
ΔH_f, kcal/mol:	-184.47
Dipole, Da:	5.68
IP(EA), eV:	-9.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3

DOS

IR

Vibrations