Geometry & MOs

Info

ID:	136329
PubChem CID:	52023344
Reduced:	ClN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	319.157029
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	2.1
IP(EA), eV:	-8.82(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-fluoro-1-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)C1=CC2=C(N1C)C=CC=C2Cl)O

DOS

IR

Vibrations