Geometry & MOs

Info

ID:	384416
PubChem CID:	134976943
Reduced:	OPH21C23 (2)
Stoich.:	ABC21D23 (2)
Weight, g/mol:	459.69547
ΔH_f, kcal/mol:	58.0
Dipole, Da:	1.12
IP(EA), eV:	-8.16(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5,6-tetrabromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

Drug info:

PubChemData

Smile

COC1=C2CCCP(C3=CC=CC=C3P(CCCC4=C(C5=C(C=CC=C5C6=CC=CC(=C61)C=C2)C=C4)OC)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations