Geometry & MOs

Info

ID:	84984
PubChem CID:	49871178
Reduced:	O8C15H22 (1)
Stoich.:	A8B15C22 (1)
Weight, g/mol:	240.975355
ΔH_f, kcal/mol:	-338.66
Dipole, Da:	3.0
IP(EA), eV:	-9.05(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(trifluoromethoxy)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)OC

DOS

IR

Vibrations