Geometry & MOs

Info

ID:	240799
PubChem CID:	93617630
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-62.45
Dipole, Da:	3.91
IP(EA), eV:	-9.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)CCC2=NC(=NO2)CC3=CC=CC=C3

DOS

IR

Vibrations