Geometry & MOs

Info

ID:	419871
PubChem CID:	135109467
Reduced:	O5N7C28H39 (1)
Stoich.:	A5B7C28D39 (1)
Weight, g/mol:	375.123736
ΔH_f, kcal/mol:	-164.53
Dipole, Da:	6.74
IP(EA), eV:	-9.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(5-chloronaphthalene-1-carbonyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CCCN4CCCC4=O

DOS

IR

Vibrations