Geometry & MOs

Info

ID:	416327
PubChem CID:	135089340
Reduced:	ON5H15C18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	320.09277
ΔH_f, kcal/mol:	81.02
Dipole, Da:	4.56
IP(EA), eV:	-9.37(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CN3C=CN=C3C=C2)N4C=CN=C4

DOS

IR

Vibrations