Geometry & MOs

Info

ID:	321707
PubChem CID:	126666838
Reduced:	FON6C23H25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	396.142011
ΔH_f, kcal/mol:	34.56
Dipole, Da:	2.63
IP(EA), eV:	-9.52(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(CC(CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)F)CN5C=C(N=N5)C6CC6)C

DOS

IR

Vibrations