Geometry & MOs

Info

ID:	420198
PubChem CID:	135111793
Reduced:	F3O3N4C20H23 (1)
Stoich.:	A3B3C4D20E23 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-234.39
Dipole, Da:	4.99
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CC(=N1)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O)C(F)(F)F

DOS

IR

Vibrations