Geometry & MOs

Info

ID:	207064
PubChem CID:	80341727
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-126.45
Dipole, Da:	2.94
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(hydroxymethyl)piperidin-1-yl]pyridin-4-yl]ethanone

Drug info:

PubChemData

Smile

COC(=O)C1CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations