Geometry & MOs

Info

ID:	136908
PubChem CID:	52121482
Reduced:	N5O5C28H31 (1)
Stoich.:	A5B5C28D31 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-109.39
Dipole, Da:	6.05
IP(EA), eV:	-9.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN=C(O2)CN3CCC(CC3)C(=O)N4CC(=O)N(C(=O)C4)CCC5=CC=CC=C5

DOS

IR

Vibrations