Geometry & MOs

Info

ID:	385431
PubChem CID:	134979069
Reduced:	LiB2O4C10H19 (1)
Stoich.:	AB2C4D10E19 (1)
Weight, g/mol:	319.97696
ΔH_f, kcal/mol:	-324.52
Dipole, Da:	7.69
IP(EA), eV:	-7.06(1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(E)-2,3-dibromoprop-1-enyl]-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

[Li+].B1(OCCO1)[C-](B2OCCO2)CCCCC

DOS

IR

Vibrations