Geometry & MOs

Info

ID:	136537
PubChem CID:	52058324
Reduced:	FO4N5C24H33 (1)
Stoich.:	AB4C5D24E33 (1)
Weight, g/mol:	501.237604
ΔH_f, kcal/mol:	-144.75
Dipole, Da:	8.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957493
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1-(2-phenylethyl)piperazine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations