Geometry & MOs

Info

ID:	336549
PubChem CID:	127255556
Reduced:	BFNO4C20H23 (1)
Stoich.:	ABCD4E20F23 (1)
Weight, g/mol:	273.139705
ΔH_f, kcal/mol:	-261.36
Dipole, Da:	6.62
IP(EA), eV:	-9.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2H-tetrazol-5-yl)pyridine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N(CC3=CC=CC=C3)C(=O)O)F

DOS

IR

Vibrations