Geometry & MOs

Info

ID:	417242
PubChem CID:	135091773
Reduced:	O4N6C27H32 (1)
Stoich.:	A4B6C27D32 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	9.13
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-4-hydroxy-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=CN=CC=C2)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations