Geometry & MOs

Info

ID:	321571
PubChem CID:	126666626
Reduced:	N3H6C8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	279.093853
ΔH_f, kcal/mol:	142.75
Dipole, Da:	5.98
IP(EA), eV:	-9.51(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=NC3=C4C=C(C=CC4=NC=C3N2)C#N

DOS

IR

Vibrations