Geometry & MOs

Info

ID:	184575
PubChem CID:	77178646
Reduced:	N3O3C31H39 (1)
Stoich.:	A3B3C31D39 (1)
Weight, g/mol:	543.309707
ΔH_f, kcal/mol:	-61.12
Dipole, Da:	7.32
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(6-methoxyquinolin-4-yl)-3-morpholin-4-ylpropyl]-1-(3-phenylcyclobutyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C(CCC1CCN(CC1C(=O)O)C2CC(C2)C3=CC=CC=C3)C4=C5C=C(C=CC5=NC=C4)OC

DOS

IR

Vibrations