Geometry & MOs

Info

ID:	184574
PubChem CID:	77178645
Reduced:	ClN3O3C8H12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	501.299142
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	6.82
IP(EA), eV:	-10.22(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(dimethylamino)-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-phenylcyclobutyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CON1C(=O)C2CNCCC2=NC1=O.Cl

DOS

IR

Vibrations