Geometry & MOs

Info

ID:	23020
PubChem CID:	600885
Reduced:	BClO2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	212.077538
ΔH_f, kcal/mol:	-128.18
Dipole, Da:	1.93
IP(EA), eV:	-9.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4-chloro-3a,7a-dihydro-1,3,2-benzodioxaborole

Drug info:

PubChemData

Smile

B1(OC2C=CC=C(C2O1)Cl)CCCC

DOS

IR

Vibrations