Geometry & MOs

Info

ID:	327811
PubChem CID:	126691097
Reduced:	FON5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	270.128075
ΔH_f, kcal/mol:	50.5
Dipole, Da:	2.98
IP(EA), eV:	-9.44(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[[(3R)-3-fluorocyclopentyl]amino]quinoline-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC2=NC3=CN=C4C=CC(=CC4=C3N2[C@H]5CC[C@H](C5)F)C#N

DOS

IR

Vibrations