Geometry & MOs

Info

ID:	321572
PubChem CID:	126666627
Reduced:	ClFN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	279.093853
ΔH_f, kcal/mol:	-20.47
Dipole, Da:	2.52
IP(EA), eV:	-8.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-[(1R,3S)-3-fluorocyclopentyl]quinoline-3,4-diamine

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1NC2=C3C=C(C=CC3=NC=C2N)Cl)F

DOS

IR

Vibrations