Geometry & MOs

Info

ID:	400713
PubChem CID:	135048840
Reduced:	BClOC14H25 (1)
Stoich.:	ABCD14E25 (1)
Weight, g/mol:	282.02881
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	1.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755096
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-iodoethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

[B-]1(C2CCCC1CCC2)(/C=C/CCCCl)OC

DOS

IR

Vibrations