Geometry & MOs

Info

ID:	294898
PubChem CID:	117503055
Reduced:	BrClO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	315.98657
ΔH_f, kcal/mol:	-87.66
Dipole, Da:	4.87
IP(EA), eV:	-9.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-3-chloro-2-methylphenyl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=C(C=C(C=C2)Cl)Br)C(=O)O

DOS

IR

Vibrations