Geometry & MOs

Info

ID:	294980
PubChem CID:	117510384
Reduced:	BrO6H9C12 (1)
Stoich.:	AB6C9D12 (1)
Weight, g/mol:	327.99464
ΔH_f, kcal/mol:	-171.99
Dipole, Da:	5.4
IP(EA), eV:	-9.61(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC(=C(C2=C1OCO2)C=O)Br

DOS

IR

Vibrations