Geometry & MOs

Info

ID:	400835
PubChem CID:	135049207
Reduced:	BO3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	446.299225
ΔH_f, kcal/mol:	-242.47
Dipole, Da:	2.37
IP(EA), eV:	-10.33(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4,5-dicyclohexyl-2-[(1S)-2-phenyl-1-phenylmethoxyethyl]-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(OCCO1)OC(C)(C)C(C)C

DOS

IR

Vibrations