Geometry & MOs

Info

ID:	222416
PubChem CID:	85300632
Reduced:	NO6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-178.77
Dipole, Da:	2.91
IP(EA), eV:	-9.53(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(acetyloxymethyl)-6-(hydroxymethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2CON=C2C1C3=CC=CO3)C(=O)OCC

DOS

IR

Vibrations