Geometry & MOs

Info

ID:	400610
PubChem CID:	135048507
Reduced:	BC18H36 (1)
Stoich.:	AB18C36 (1)
Weight, g/mol:	216.204931
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	0.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754791
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-9-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-9-borabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

[B-](CC(C)C)(CC(C)C)(CC(C)C)C#CC(C)(C)C

DOS

IR

Vibrations