Geometry & MOs

Info

ID:	294393
PubChem CID:	117458074
Reduced:	ClF3O4H8C10 (1)
Stoich.:	AB3C4D8E10 (1)
Weight, g/mol:	284.081537
ΔH_f, kcal/mol:	-306.79
Dipole, Da:	4.93
IP(EA), eV:	-9.73(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(F)(F)F)C(C(=O)O)O)Cl

DOS

IR

Vibrations