Geometry & MOs

Info

ID:	136747
PubChem CID:	52093842
Reduced:	O2F3N3H10C16 (1)
Stoich.:	A2B3C3D10E16 (1)
Weight, g/mol:	367.060232
ΔH_f, kcal/mol:	-171.3
Dipole, Da:	4.07
IP(EA), eV:	-9.06(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NC(=O)C2=CNC3=C(C2=O)C=CC(=C3)C(F)(F)F

DOS

IR

Vibrations