Geometry & MOs

Info

ID:	430212
PubChem CID:	135170276
Reduced:	BrNO5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	374.176106
ΔH_f, kcal/mol:	-130.64
Dipole, Da:	2.37
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C2C(=O)[C@@H]3[C@H](C2=O)C4[C@H](CC3O4)NOC

DOS

IR

Vibrations