Geometry & MOs

Info

ID:	321612
PubChem CID:	126666680
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	423.092059
ΔH_f, kcal/mol:	84.58
Dipole, Da:	5.23
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[[1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=NC3=C2C4=CC=CC=C4N=C3)CC5=NOC=C5

DOS

IR

Vibrations