Geometry & MOs

Info

ID:	400605
PubChem CID:	135048478
Reduced:	BO2C30H51 (1)
Stoich.:	AB2C30D51 (1)
Weight, g/mol:	296.267531
ΔH_f, kcal/mol:	-148.88
Dipole, Da:	1.56
IP(EA), eV:	-9.04(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]borane

Drug info:

PubChemData

Smile

B(CCCCCC)(CCCCCC)/C(=C(/C1=CC=CC=C1)\C2(OCCO2)C)/CCCCCC

DOS

IR

Vibrations