Geometry & MOs

Info

ID:	400611
PubChem CID:	135048508
Reduced:	BC15H25 (1)
Stoich.:	AB15C25 (1)
Weight, g/mol:	216.204931
ΔH_f, kcal/mol:	-41.23
Dipole, Da:	0.54
IP(EA), eV:	-9.52(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

B1([C@@H]2CCCC[C@H]1CC2)[C@@H]3C[C@H]4CC[C@@H]3C4

DOS

IR

Vibrations