Geometry & MOs

Info

ID:	83197
PubChem CID:	49857270
Reduced:	BNSO4C18H18 (1)
Stoich.:	ABCD4E18F18 (1)
Weight, g/mol:	339.127803
ΔH_f, kcal/mol:	-129.28
Dipole, Da:	8.11
IP(EA), eV:	-8.56(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-(1-nitrodibenzofuran-4-yl)-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C3C(=C(C=C2)[N+](=O)[O-])C4=CC=CC=C4S3

DOS

IR

Vibrations