Geometry & MOs

Info

ID:	414936
PubChem CID:	135087916
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	325.144471
ΔH_f, kcal/mol:	-150.02
Dipole, Da:	3.26
IP(EA), eV:	-9.3(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methylphenyl)-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)C(=O)CCCC3=CC=CC=C3

DOS

IR

Vibrations