Geometry & MOs

Info

ID:	394766
PubChem CID:	135023719
Reduced:	N2O3H40C41 (1)
Stoich.:	A2B3C40D41 (1)
Weight, g/mol:	289.225308
ΔH_f, kcal/mol:	39.42
Dipole, Da:	3.71
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-(hydroxymethyl)-3,5-dipropoxy-1-propylpiperidin-4-ol

Drug info:

PubChemData

Smile

C=CC[C@@H]1C(C([C@@H](CN1C(C#N)C2=CC3=CC=CC=C3C=C2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations