Geometry & MOs

Info

ID:	167155
PubChem CID:	74788421
Reduced:	O2N4C15H27 (1)
Stoich.:	A2B4C15D27 (1)
Weight, g/mol:	283.094665
ΔH_f, kcal/mol:	-81.83
Dipole, Da:	3.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.923245
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CC[N+]2=CC(=CN2)N

DOS

IR

Vibrations