Geometry & MOs

Info

ID:	403716
PubChem CID:	135061498
Reduced:	BO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	368.21589
ΔH_f, kcal/mol:	-223.28
Dipole, Da:	1.44
IP(EA), eV:	-9.16(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations