Geometry & MOs

Info

ID:	321557
PubChem CID:	126666604
Reduced:	N2F3O3H5C10 (1)
Stoich.:	A2B3C3D5E10 (1)
Weight, g/mol:	420.196154
ΔH_f, kcal/mol:	-163.21
Dipole, Da:	9.53
IP(EA), eV:	-10.25(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyloxan-4-yl)-8-fluoro-2-[(5-methoxypyridin-2-yl)methyl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)[N+](=O)[O-]

DOS

IR

Vibrations