Geometry & MOs

Info

ID:	304389
PubChem CID:	124576578
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	502.377058
ΔH_f, kcal/mol:	-89.94
Dipole, Da:	7.6
IP(EA), eV:	-9.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-1-(1,3-benzodioxol-5-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide

Drug info:

PubChemData

Smile

CCCC1=C(C=NN1CC2=CC=CC=C2)C(=O)N3CCC[C@@H](C3)C(=O)O

DOS

IR

Vibrations