Geometry & MOs

Info

ID:	294239
PubChem CID:	117439454
Reduced:	BrO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	273.98407
ΔH_f, kcal/mol:	-155.21
Dipole, Da:	2.43
IP(EA), eV:	-9.67(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C=C(C=C1)Br)O)O

DOS

IR

Vibrations