Geometry & MOs

Info

ID:	139878
PubChem CID:	52610829
Reduced:	O2N4C18H33 (1)
Stoich.:	A2B4C18D33 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-47.59
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753066
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CCC(=O)NCCCC[NH+]2CCCC[C@@H]2C

DOS

IR

Vibrations