Geometry & MOs

Info

ID:	30695
PubChem CID:	841736
Reduced:	NO4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-191.74
Dipole, Da:	3.94
IP(EA), eV:	-9.54(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4S)-3-[(2S)-2-ethylpiperidine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)[C@@H]1[C@H]2CC[C@@H]([C@H]1C(=O)O)O2

DOS

IR

Vibrations