Geometry & MOs

Info

ID:	321624
PubChem CID:	126666693
Reduced:	O2F3N5C20H20 (1)
Stoich.:	A2B3C5D20E20 (1)
Weight, g/mol:	378.151433
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	2.51
IP(EA), eV:	-8.38(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=C2C4=C(C=CC(=C4)C(F)(F)F)N=C3N5C=CON5)C

DOS

IR

Vibrations