Geometry & MOs

Info

ID:	294888
PubChem CID:	117502481
Reduced:	BrO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	315.99464
ΔH_f, kcal/mol:	-162.18
Dipole, Da:	1.98
IP(EA), eV:	-8.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations