Geometry & MOs

Info

ID:	295048
PubChem CID:	117512732
Reduced:	BrClO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	331.98148
ΔH_f, kcal/mol:	-102.9
Dipole, Da:	5.91
IP(EA), eV:	-9.37(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-chloro-2-methoxyphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)C(CC(=O)O)C2CC2)Br

DOS

IR

Vibrations