Geometry & MOs

Info

ID:	427090
PubChem CID:	135155441
Reduced:	ClSN3F5O6C28H31 (1)
Stoich.:	ABC3D5E6F28G31 (1)
Weight, g/mol:	374.176106
ΔH_f, kcal/mol:	-442.09
Dipole, Da:	7.05
IP(EA), eV:	-9.51(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N([C@@H](C(=O)N3CC[C@H](C3)N)C(C4=CC=C(C=C4)Cl)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations