Geometry & MOs

Info

ID:	294238
PubChem CID:	117439448
Reduced:	BrO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	273.98407
ΔH_f, kcal/mol:	-143.39
Dipole, Da:	1.54
IP(EA), eV:	-9.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-bromo-2-hydroxyphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

COCC1=C(C(=CC(=C1)Br)OC)C(=O)O

DOS

IR

Vibrations