Geometry & MOs

Info

ID:	136923
PubChem CID:	52123218
Reduced:	O4N5C24H34 (1)
Stoich.:	A4B5C24D34 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-115.74
Dipole, Da:	8.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993711
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C2CC[NH+](CC2)CC3=NN=C(O3)C4=CC=C(C=C4)C

DOS

IR

Vibrations