Geometry & MOs

Info

ID:	88767
PubChem CID:	49956658
Reduced:	NCl3H16C22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	384.97726
ΔH_f, kcal/mol:	52.98
Dipole, Da:	4.54
IP(EA), eV:	-8.53(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CC2C1C(NC3=C2C(=C(C=C3Cl)Cl)Cl)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations