Geometry & MOs

Info

ID:	322142
PubChem CID:	126668854
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	335.96471
ΔH_f, kcal/mol:	-65.3
Dipole, Da:	3.52
IP(EA), eV:	-7.96(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-bromo-5-(trifluoromethyl)phenyl]-5-fluoro-1-hydroxypyridin-1-ium

Drug info:

PubChemData

Smile

CC1C=CC(=CC=C1O[C@H]2CO[C@H]3[C@@H]2CCC3)NC

DOS

IR

Vibrations