Geometry & MOs

Info

ID:	321639
PubChem CID:	126666711
Reduced:	ON7C17H17 (1)
Stoich.:	AB7C17D17 (1)
Weight, g/mol:	413.107709
ΔH_f, kcal/mol:	115.97
Dipole, Da:	3.28
IP(EA), eV:	-9.46(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-(1,3-thiazol-4-ylmethyl)imidazo[4,5-c]quinolin-4-amine

Drug info:

PubChemData

Smile

C1COCCC1N2C(=NC3=C2C4=CC=CC=C4N=C3)CN5C=NN=N5

DOS

IR

Vibrations