Geometry & MOs

Info

ID:	365694
PubChem CID:	127318419
Reduced:	BrN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-25.12
Dipole, Da:	1.78
IP(EA), eV:	-9.13(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1COCCC1C2=NOC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3

DOS

IR

Vibrations