Geometry & MOs

Info

ID:	420326
PubChem CID:	135112491
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	365.220223
ΔH_f, kcal/mol:	20.98
Dipole, Da:	4.14
IP(EA), eV:	-8.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)CC3=NC=CN3)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations