Geometry & MOs

Info

ID:	400552
PubChem CID:	135048307
Reduced:	BrB2C21H38 (1)
Stoich.:	AB2C21D38 (1)
Weight, g/mol:	405.24995
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	2.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755105
Charge, e:	-1

Chem-info

IUPAC name:

9-[1-(9-borabicyclo[3.3.1]nonan-9-yl)-5-bromopentyl]-9-methyl-9-boranuidabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)C([B-]3(C4CCCC3CCC4)C)CCCBr

DOS

IR

Vibrations