Geometry & MOs

Info

ID:	427092
PubChem CID:	135155447
Reduced:	BrSF2N3O4C29H32 (1)
Stoich.:	ABC2D3E4F29G32 (1)
Weight, g/mol:	440.192292
ΔH_f, kcal/mol:	-217.99
Dipole, Da:	9.68
IP(EA), eV:	-9.17(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N[C@@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations