Geometry & MOs

Info

ID:	321615
PubChem CID:	126666683
Reduced:	ClFO2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	309.068033
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	7.22
IP(EA), eV:	-9.32(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(1R,3S)-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