Geometry & MOs

Info

ID:	293761
PubChem CID:	117400738
Reduced:	BrO4H7C9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	257.95277
ΔH_f, kcal/mol:	-117.84
Dipole, Da:	2.62
IP(EA), eV:	-9.42(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-hydroxy-4-methylphenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C(=O)C(=O)O

DOS

IR

Vibrations