Geometry & MOs

Info

ID:	88783
PubChem CID:	49956789
Reduced:	SN3O4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	379.029747
ΔH_f, kcal/mol:	-12.01
Dipole, Da:	1.77
IP(EA), eV:	-8.92(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8,9-trichloro-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations