Geometry & MOs

Info

ID:	400500
PubChem CID:	135048132
Reduced:	BC21H37 (1)
Stoich.:	AB21C37 (1)
Weight, g/mol:	376.21082
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	0.39
IP(EA), eV:	-9.39(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B(C)([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C

DOS

IR

Vibrations