Geometry & MOs

Info

ID:	400555
PubChem CID:	135048315
Reduced:	BC11H24 (1)
Stoich.:	AB11C24 (1)
Weight, g/mol:	326.278096
ΔH_f, kcal/mol:	-18.72
Dipole, Da:	0.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750981
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-tributyl-5-methyl-4-phenyloxaborole

Drug info:

PubChemData

Smile

[B](CC(C)CC)C(C)(C)C(C)C

DOS

IR

Vibrations