Geometry & MOs

Info

ID:	16891
PubChem CID:	478685
Reduced:	O2F3N3H14C22 (1)
Stoich.:	A2B3C3D14E22 (1)
Weight, g/mol:	409.103811
ΔH_f, kcal/mol:	-145.6
Dipole, Da:	2.77
IP(EA), eV:	-9.55(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-7-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N

DOS

IR

Vibrations