Geometry & MOs

Info

ID:	417620
PubChem CID:	135102273
Reduced:	FN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-137.15
Dipole, Da:	4.1
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)C1=C(ON=C1N(C)C)C2=CC(=C(C=C2)F)OC)O

DOS

IR

Vibrations