Geometry & MOs

Info

ID:	140075
PubChem CID:	52642513
Reduced:	FO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	430.123025
ΔH_f, kcal/mol:	7.79
Dipole, Da:	7.85
IP(EA), eV:	-9.01(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloroquinolin-8-yl)oxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations