Geometry & MOs

Info

ID:	8440
PubChem CID:	77683
Reduced:	BrO3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	229.95786
ΔH_f, kcal/mol:	-107.78
Dipole, Da:	1.37
IP(EA), eV:	-9.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-2-hydroxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations