Geometry & MOs

Info

ID:	292329
PubChem CID:	114916906
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	5.39
IP(EA), eV:	-9.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=NC=C(C(=C2)C(=O)O)Cl

DOS

IR

Vibrations