Geometry & MOs

Info

ID:	293763
PubChem CID:	117400774
Reduced:	BrO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	257.98916
ΔH_f, kcal/mol:	-113.32
Dipole, Da:	2.63
IP(EA), eV:	-9.56(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-6-(methoxymethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)C(C(=O)OC)O

DOS

IR

Vibrations