Geometry & MOs

Info

ID:	400550
PubChem CID:	135048305
Reduced:	BO2C26H43 (1)
Stoich.:	AB2C26D43 (1)
Weight, g/mol:	398.2503
ΔH_f, kcal/mol:	-131.23
Dipole, Da:	0.9
IP(EA), eV:	-9.07(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;9-[1-(9-borabicyclo[3.3.1]nonan-9-yl)-4-bromobutyl]-9-methyl-9-boranuidabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

B(CCCC)(CCCC)/C(=C(/C1=CC=CC=C1)\C2(OCCO2)CCC)/CCCC

DOS

IR

Vibrations