Geometry & MOs

Info

ID:	418399
PubChem CID:	135104526
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	6.5
IP(EA), eV:	-8.86(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=NNC4=C3COCC4)CO

DOS

IR

Vibrations