Geometry & MOs

Info

ID:	88769
PubChem CID:	49956662
Reduced:	ClN2H15C19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	339.102606
ΔH_f, kcal/mol:	81.25
Dipole, Da:	5.09
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CC2C1C(NC3=C(C=CC=C23)C#N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations