Geometry & MOs

Info

ID:	321530
PubChem CID:	126666536
Reduced:	ON6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	300.102254
ΔH_f, kcal/mol:	83.83
Dipole, Da:	1.33
IP(EA), eV:	-9.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1R,3S)-3-fluorocyclopentyl]amino]-3-nitroquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CN(N=N1)CC2=NC3=C(N2C4CCOCC4)C5=CC=CC=C5N=C3

DOS

IR

Vibrations