Geometry & MOs

Info

ID:	400574
PubChem CID:	135048387
Reduced:	BO5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	326.278096
ΔH_f, kcal/mol:	-221.93
Dipole, Da:	5.12
IP(EA), eV:	-9.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-tri(butan-2-yl)-5-methyl-4-phenyloxaborole

Drug info:

PubChemData

Smile

B1(OC2=CC=CC=C2O1)[C@@H]3C=C(C[C@H]4[C@@H]3C(=O)OC4=O)C

DOS

IR

Vibrations