Geometry & MOs

Info

ID:	417337
PubChem CID:	135092300
Reduced:	FSN2O2C22H25 (1)
Stoich.:	ABC2D2E22F25 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-105.11
Dipole, Da:	3.83
IP(EA), eV:	-8.75(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCCN(CC2)C(=O)C3=C4CCCCC4=CS3

DOS

IR

Vibrations