Geometry & MOs

Info

ID:	283407
PubChem CID:	103979682
Reduced:	BrO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	353.99253
ΔH_f, kcal/mol:	-161.86
Dipole, Da:	3.66
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-bromo-1-benzothiophen-3-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C2CCCC2C(=O)O)O)Br

DOS

IR

Vibrations