Geometry & MOs

Info

ID:	167887
PubChem CID:	74890530
Reduced:	NBr2O2H7C10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	279.144202
ΔH_f, kcal/mol:	-36.16
Dipole, Da:	5.72
IP(EA), eV:	-9.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-methoxy-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C(=C1)Br)C(=CN2)Br

DOS

IR

Vibrations