Geometry & MOs

Info

ID:	321651
PubChem CID:	126666733
Reduced:	BrOSN4H19C20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	294.128075
ΔH_f, kcal/mol:	52.92
Dipole, Da:	3.26
IP(EA), eV:	-9.23(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3R)-3-fluorocyclopentyl]-2-methylimidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Br)CC5=CSC=N5

DOS

IR

Vibrations