Geometry & MOs

Info

ID:	361457
PubChem CID:	127303545
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-34.27
Dipole, Da:	4.15
IP(EA), eV:	-9.07(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CC(CC2)NC(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations