Geometry & MOs

Info

ID:	366535
PubChem CID:	127320051
Reduced:	N3O3C19H33 (1)
Stoich.:	A3B3C19D33 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-153.87
Dipole, Da:	3.07
IP(EA), eV:	-8.69(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)C(=O)N2CCOCC2)N3CCCCCC3

DOS

IR

Vibrations