Geometry & MOs

Info

ID:	293762
PubChem CID:	117400751
Reduced:	BrO4H7C9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	257.98916
ΔH_f, kcal/mol:	-131.81
Dipole, Da:	4.84
IP(EA), eV:	-9.75(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromo-5-methylphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)C(=O)C(=O)O)O

DOS

IR

Vibrations