Geometry & MOs

Info

ID:	260583
PubChem CID:	103196242
Reduced:	F2N2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	297.088019
ΔH_f, kcal/mol:	-194.44
Dipole, Da:	2.73
IP(EA), eV:	-9.29(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)C2=C(C=C(C=C2F)C(=O)O)F

DOS

IR

Vibrations