Geometry & MOs

Info

ID:	321550
PubChem CID:	126666571
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	293.109503
ΔH_f, kcal/mol:	24.75
Dipole, Da:	5.19
IP(EA), eV:	-8.73(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-[(3S,4R)-3-fluoro-4-methylcyclopentyl]quinoline-3,4-diamine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)NC2=C3C=C(C=CC3=NC=C2N)C#N

DOS

IR

Vibrations