Geometry & MOs

Info

ID:	292777
PubChem CID:	117358498
Reduced:	ClO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	242.034586
ΔH_f, kcal/mol:	-144.4
Dipole, Da:	4.54
IP(EA), eV:	-9.49(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-1,3-benzodioxol-4-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C(=O)C(=O)O)OC)Cl

DOS

IR

Vibrations