Geometry & MOs

Info

ID:	88775
PubChem CID:	49956702
Reduced:	SN3O5H23C25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	455.061047
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	5.92
IP(EA), eV:	-8.17(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8,9-trichloro-4-(4-phenylmethoxyphenyl)-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)[N+](=O)[O-]

DOS

IR

Vibrations