Geometry & MOs

Info

ID:	321614
PubChem CID:	126666682
Reduced:	FON4H13C17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	309.068033
ΔH_f, kcal/mol:	14.76
Dipole, Da:	7.75
IP(EA), eV:	-8.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(1S,3R)-3-fluorocyclopentyl]-3-nitroquinolin-4-amine

Drug info:

PubChemData

Smile

COC1=CN=C(C=C1)CC2=NC3=C4C=C(C=CC4=NC=C3N2)F

DOS

IR

Vibrations