Geometry & MOs

Info

ID:	403707
PubChem CID:	135061487
Reduced:	OH18C21 (1)
Stoich.:	AB18C21 (1)
Weight, g/mol:	284.21589
ΔH_f, kcal/mol:	47.4
Dipole, Da:	2.21
IP(EA), eV:	-9.15(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl (2R,3S)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations