Geometry & MOs

Info

ID:	172265
PubChem CID:	75487164
Reduced:	BN2O4C11H17 (1)
Stoich.:	AB2C4D11E17 (1)
Weight, g/mol:	260.158375
ΔH_f, kcal/mol:	-213.84
Dipole, Da:	2.68
IP(EA), eV:	-9.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanone

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)C(=O)OC

DOS

IR

Vibrations