Geometry & MOs

Info

ID:	290091
PubChem CID:	104408000
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	311.103669
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	8.17
IP(EA), eV:	-9.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)NC2=C(C=NC=C2)C(=O)O

DOS

IR

Vibrations