Geometry & MOs

Info

ID:	294359
PubChem CID:	117454413
Reduced:	ClO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.102272
ΔH_f, kcal/mol:	-132.38
Dipole, Da:	3.84
IP(EA), eV:	-9.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C2(CCCCC2)C(=O)O)Cl)OC

DOS

IR

Vibrations