Geometry & MOs

Info

ID:	25818
PubChem CID:	631204
Reduced:	NO4F5C13H14 (1)
Stoich.:	AB4C5D13E14 (1)
Weight, g/mol:	386.98547
ΔH_f, kcal/mol:	-381.4
Dipole, Da:	5.7
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CNC(=O)C(C(F)(F)F)(F)F)OC)OC

DOS

IR

Vibrations