Geometry & MOs

Info

ID:	141545
PubChem CID:	52892422
Reduced:	NO5C19H28 (1)
Stoich.:	AB5C19D28 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-154.5
Dipole, Da:	15.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995383
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-ethylpiperidin-3-yl] 2-naphthalen-2-yloxyacetate

Drug info:

PubChemData

Smile

CC[NH+]1CCC[C@@H](C1)OC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations