Geometry & MOs

Info

ID:	211471
PubChem CID:	80953306
Reduced:	ClN3C15H26 (1)
Stoich.:	AB3C15D26 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-21.45
Dipole, Da:	5.42
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CCCCCN(C1=CC(=NC(=N1)C(C)C)Cl)C(C)C

DOS

IR

Vibrations