Geometry & MOs

Info

ID:	383002
PubChem CID:	134974482
Reduced:	BrO2C15H15 (3)
Stoich.:	AB2C15D15 (3)
Weight, g/mol:	262.02046
ΔH_f, kcal/mol:	-219.4
Dipole, Da:	5.41
IP(EA), eV:	-9.19(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-8-oxooct-6-en-2-yl] 2-bromoacetate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2=C3CC(CC3=C4CC(CC4=C2C1)(CC5=CC=C(C=C5)Br)C(=O)OCC)(CC6=CC=C(C=C6)Br)C(=O)OCC)CC7=CC=C(C=C7)Br

DOS

IR

Vibrations