Geometry & MOs

Info

ID:	52318
PubChem CID:	12015145
Reduced:	BNSO4C18H24 (1)
Stoich.:	ABCD4E18F24 (1)
Weight, g/mol:	221.158709
ΔH_f, kcal/mol:	-206.42
Dipole, Da:	7.08
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1H-pyrrole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)CCC2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations