Geometry & MOs

Info

ID:	321569
PubChem CID:	126666623
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	408.116859
ΔH_f, kcal/mol:	-117.0
Dipole, Da:	5.9
IP(EA), eV:	-8.6(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)NCC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations