Geometry & MOs

Info

ID:	292778
PubChem CID:	117358562
Reduced:	ClO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	242.050985
ΔH_f, kcal/mol:	-151.13
Dipole, Da:	5.47
IP(EA), eV:	-9.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-fluoro-3,6-dimethylphenyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=C(C=C2)Cl)CCCC(=O)O

DOS

IR

Vibrations