Geometry & MOs

Info

ID:	192616
PubChem CID:	78291758
Reduced:	NO3F6H9C14 (1)
Stoich.:	AB3C6D9E14 (1)
Weight, g/mol:	285.061278
ΔH_f, kcal/mol:	-395.76
Dipole, Da:	4.84
IP(EA), eV:	-10.67(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-6-(trifluoromethyl)-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C=NC2=CC(=CC(=C2C1=O)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations