Geometry & MOs

Info

ID:	400546
PubChem CID:	135048301
Reduced:	BO6C18H33 (1)
Stoich.:	AB6C18D33 (1)
Weight, g/mol:	206.220581
ΔH_f, kcal/mol:	-326.18
Dipole, Da:	1.68
IP(EA), eV:	-10.31(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-9-[(3R)-hexan-3-yl]-9-borabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

B(CCCCC(=O)OC)(CCCCC(=O)OC)CCCCC(=O)OC

DOS

IR

Vibrations