Geometry & MOs

Info

ID:	361624
PubChem CID:	127303907
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-80.09
Dipole, Da:	5.33
IP(EA), eV:	-8.72(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(4-phenylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations