Geometry & MOs

Info

ID:	83254
PubChem CID:	49857357
Reduced:	BClO2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	244.140138
ΔH_f, kcal/mol:	-190.91
Dipole, Da:	3.97
IP(EA), eV:	-9.37(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-chloro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C\C(C)C)/Cl

DOS

IR

Vibrations