Geometry & MOs

Info

ID:	136904
PubChem CID:	52120877
Reduced:	FN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	498.275467
ΔH_f, kcal/mol:	-154.23
Dipole, Da:	10.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.043096
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NN=C(O3)C4=CC(=CC=C4)F

DOS

IR

Vibrations