Geometry & MOs

Info

ID:	172266
PubChem CID:	75487165
Reduced:	BO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	331.159103
ΔH_f, kcal/mol:	-201.39
Dipole, Da:	5.33
IP(EA), eV:	-9.39(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations