Geometry & MOs

Info

ID:	88862
PubChem CID:	49957329
Reduced:	SCl2N2O2H24C26 (1)
Stoich.:	AB2C2D2E24F26 (1)
Weight, g/mol:	324.127406
ΔH_f, kcal/mol:	-32.07
Dipole, Da:	10.55
IP(EA), eV:	-8.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-6-methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=C(C=CC=C5Cl)Cl)C

DOS

IR

Vibrations