Geometry & MOs

Info

ID:	387925
PubChem CID:	134987427
Reduced:	BrOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	292.089817
ΔH_f, kcal/mol:	-25.22
Dipole, Da:	2.3
IP(EA), eV:	-9.29(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-diethoxyphosphoryl-5-methylsulfinylbicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

C1C/C(=C(/CCCC2=CC=CC=C2)\Br)/C(=O)C1

DOS

IR

Vibrations