Geometry & MOs

Info

ID:	176913
PubChem CID:	76112355
Reduced:	O2N6C7 (1)
Stoich.:	A2B6C7 (1)
Weight, g/mol:	496.119681
ΔH_f, kcal/mol:	149.47
Dipole, Da:	3.4
IP(EA), eV:	-11.22(-3.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-6,7,8-trifluoro-4-oxo-N-(2-trimethylsilylethoxymethyl)-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C(#N)C1=NC(=C2N=NC(=O)O2)N=C1C#N

DOS

IR

Vibrations