Geometry & MOs

Info

ID:	200736
PubChem CID:	79435789
Reduced:	BrO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-51.75
Dipole, Da:	5.26
IP(EA), eV:	-9.63(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyethoxy)-2-(3-methylphenyl)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CC2=CC=CC=C2Br)C(=O)O

DOS

IR

Vibrations