Geometry & MOs

Info

ID:	295088
PubChem CID:	117516276
Reduced:	BrO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	342.04667
ΔH_f, kcal/mol:	-145.07
Dipole, Da:	5.42
IP(EA), eV:	-9.05(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)OC)Br)C2(CCCCC2)C(=O)O

DOS

IR

Vibrations