Geometry & MOs

Info

ID:	400551
PubChem CID:	135048306
Reduced:	BrLiB2C21H38 (1)
Stoich.:	ABC2D21E38 (1)
Weight, g/mol:	391.2343
ΔH_f, kcal/mol:	-108.99
Dipole, Da:	7.11
IP(EA), eV:	-8.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations