Geometry & MOs

Info

ID:	351533
PubChem CID:	127280421
Reduced:	O2N7C19H27 (1)
Stoich.:	A2B7C19D27 (1)
Weight, g/mol:	363.22704
ΔH_f, kcal/mol:	-20.83
Dipole, Da:	5.44
IP(EA), eV:	-9.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)CC(=O)N3CCN(CC3)C(=O)CN4CCCC4)C

DOS

IR

Vibrations