Geometry & MOs

Info

ID:	184572
PubChem CID:	77178053
Reduced:	ClFO2H22C24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	-92.65
Dipole, Da:	4.07
IP(EA), eV:	-9.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-(1-pyridin-2-ylazetidin-3-yl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C2=C(C=C(C=C2)Cl)F)C3=C(C4C5CCC(C5)C4C3=O)O

DOS

IR

Vibrations