Geometry & MOs

Info

ID:	294050
PubChem CID:	117425371
Reduced:	ClO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	268.086622
ΔH_f, kcal/mol:	-145.24
Dipole, Da:	3.56
IP(EA), eV:	-9.22(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C1=C(C(=C2CCCCCC2=C1)Cl)O)C(=O)O

DOS

IR

Vibrations