Geometry & MOs

Info

ID:	419091
PubChem CID:	135107461
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	5.18
Dipole, Da:	3.36
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5-acetylpyridin-2-yl)-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CCO

DOS

IR

Vibrations