Geometry & MOs

Info

ID:	88860
PubChem CID:	49957316
Reduced:	SN2O4C26H26 (1)
Stoich.:	AB2C4D26E26 (1)
Weight, g/mol:	316.053404
ΔH_f, kcal/mol:	-72.44
Dipole, Da:	6.94
IP(EA), eV:	-8.03(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dichloro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC(=CC=C5)OC

DOS

IR

Vibrations