Geometry & MOs

Info

ID:	294911
PubChem CID:	117504978
Reduced:	BrFO5H10C11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	319.96956
ΔH_f, kcal/mol:	-209.65
Dipole, Da:	4.98
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=C(C=C(C(=C1F)O)OC)Br

DOS

IR

Vibrations