Geometry & MOs

Info

ID:	321616
PubChem CID:	126666684
Reduced:	ClFO2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	309.068033
ΔH_f, kcal/mol:	-31.03
Dipole, Da:	4.86
IP(EA), eV:	-9.33(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(3-fluorocyclopentyl)-3-nitroquinolin-4-amine

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@@H]1NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])Cl)F

DOS

IR

Vibrations