Geometry & MOs

Info

ID:	321633
PubChem CID:	126666705
Reduced:	OSN6H18C20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	336.149873
ΔH_f, kcal/mol:	111.3
Dipole, Da:	3.64
IP(EA), eV:	-9.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,3S)-3-fluorocyclopentyl]-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C1COCCC1N2C(=NC3=C2C4=CC=CC=C4N=C3)CC5=CN6C(=N5)SC=N6

DOS

IR

Vibrations