Geometry & MOs

Info

ID:	20993
PubChem CID:	586667
Reduced:	BOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	208.199846
ΔH_f, kcal/mol:	-131.07
Dipole, Da:	1.37
IP(EA), eV:	-9.09(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-pentan-3-yloxy-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)OC(CC)CC

DOS

IR

Vibrations