Geometry & MOs

Info

ID:	292332
PubChem CID:	114916953
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	269.006655
ΔH_f, kcal/mol:	-114.8
Dipole, Da:	5.43
IP(EA), eV:	-9.67(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)COC2=NC=C(C(=C2)C(=O)O)Cl

DOS

IR

Vibrations