Geometry & MOs

Info

ID:	403879
PubChem CID:	135062359
Reduced:	BO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	286.174025
ΔH_f, kcal/mol:	-177.75
Dipole, Da:	4.42
IP(EA), eV:	-8.52(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=CC=C2OC

DOS

IR

Vibrations