Geometry & MOs

Info

ID:	409686
PubChem CID:	135082469
Reduced:	BO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	320.244209
ΔH_f, kcal/mol:	-206.62
Dipole, Da:	2.45
IP(EA), eV:	-8.07(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloro-bis[(1S,2S,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]borane

Drug info:

PubChemData

Smile

B1(O[C@@H]2CC3CC([C@@]2(O1)C)C3(C)C)COC4=CC=C(C=C4)OC

DOS

IR

Vibrations