Geometry & MOs

Info

ID:	17799
PubChem CID:	520207
Reduced:	BrO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	243.97351
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	3.9
IP(EA), eV:	-9.53(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-methylphenoxy)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)OCC(=O)O

DOS

IR

Vibrations