Geometry & MOs

Info

ID:	349849
PubChem CID:	127276241
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	46.67
Dipole, Da:	5.13
IP(EA), eV:	-8.42(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)C3=C4N=CC=C(N4N=C3)C5=CC=CC=C5

DOS

IR

Vibrations