Geometry & MOs

Info

ID:	292328
PubChem CID:	114916891
Reduced:	NCl3O3H6C12 (1)
Stoich.:	AB3C3D6E12 (1)
Weight, g/mol:	270.07712
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	2.81
IP(EA), eV:	-9.61(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(2-pyrrolidin-1-ylethoxy)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC2=NC=C(C(=C2)C(=O)O)Cl)Cl)Cl

DOS

IR

Vibrations