Geometry & MOs

Info

ID:	7039
PubChem CID:	71036
Reduced:	ClO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	290.011264
ΔH_f, kcal/mol:	-159.72
Dipole, Da:	6.32
IP(EA), eV:	-9.95(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butanoyl-2,3-dichlorophenoxy)acetic acid

Drug info:

PubChemData

Smile

CCCC(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl

DOS

IR

Vibrations