Geometry & MOs

Info

ID:	159927
PubChem CID:	57298696
Reduced:	BrO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	222.052823
ΔH_f, kcal/mol:	-98.91
Dipole, Da:	3.12
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-acetyloxy-2,3-dihydro-1-benzofuran-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCCCCCC1=CC(=CC=C1)CBr

DOS

IR

Vibrations