Geometry & MOs

Info

ID:	295154
PubChem CID:	117518847
Reduced:	BrO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	354.08306
ΔH_f, kcal/mol:	-134.05
Dipole, Da:	3.8
IP(EA), eV:	-9.03(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-2-(cyclobutylmethoxy)-5-methylphenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Br)C2(CC2)C(=O)O)OC3CCCC3

DOS

IR

Vibrations