Geometry & MOs

Info

ID:	417641
PubChem CID:	135102354
Reduced:	ClFNO5H11C14 (1)
Stoich.:	ABCD5E11F14 (1)
Weight, g/mol:	320.09277
ΔH_f, kcal/mol:	-211.87
Dipole, Da:	4.77
IP(EA), eV:	-10.33(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(6-chloro-8-methylquinolin-4-yl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=CC(=CC(=C3)Cl)F)C(=O)O)C(=O)O

DOS

IR

Vibrations