Geometry & MOs

Info

ID:	136528
PubChem CID:	52057298
Reduced:	O2N4C19H34 (1)
Stoich.:	A2B4C19D34 (1)
Weight, g/mol:	445.224453
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	4.58
IP(EA), eV:	-9.16(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1CCN(CC1)CC2=NC(=NO2)C(C)(C)C

DOS

IR

Vibrations