Geometry & MOs

Info

ID:	409508
PubChem CID:	135082290
Reduced:	OsO3N5C13H33 (1)
Stoich.:	AB3C5D13E33 (1)
Weight, g/mol:	658.269799
ΔH_f, kcal/mol:	-151.13
Dipole, Da:	5.82
IP(EA), eV:	-9.29(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[2-(1,11-dimethylbenzo[d][1,3,2]benzodioxaborepin-6-yl)oxy-6-methylphenyl]-3-methylphenoxy]-1,11-dimethylbenzo[d][1,3,2]benzodioxaborepine

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)(C)C)OC1=CC=CC=C1.N.N.N.N.N.[Os+2]

DOS

IR

Vibrations