Geometry & MOs

Info

ID:	192615
PubChem CID:	78291746
Reduced:	ClO2N3C5H8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	353.048662
ΔH_f, kcal/mol:	-74.39
Dipole, Da:	6.73
IP(EA), eV:	-10.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-5,7-bis(trifluoromethyl)-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=NC(=O)N=C(C1CO)[NH3+].[Cl-]

DOS

IR

Vibrations