Geometry & MOs

Info

ID:	416382
PubChem CID:	135089395
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-8.89
Dipole, Da:	4.83
IP(EA), eV:	-8.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-[2-methyl-2-(3-methylphenoxy)propanoyl]-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CC(=O)NCC3=NC(=NO3)COC)C4=CC=CC=C41

DOS

IR

Vibrations