Geometry & MOs

Info

ID:	321609
PubChem CID:	126666677
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	420.132172
ΔH_f, kcal/mol:	16.36
Dipole, Da:	2.52
IP(EA), eV:	-9.69(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-1-(oxan-4-yl)-2-[[4-(trifluoromethyl)triazol-1-yl]methyl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])C#N

DOS

IR

Vibrations