Geometry & MOs

Info

ID:	351535
PubChem CID:	127280423
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	377.24269
ΔH_f, kcal/mol:	-113.07
Dipole, Da:	6.63
IP(EA), eV:	-9.15(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3(CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations