Geometry & MOs

Info

ID:	64786
PubChem CID:	29203999
Reduced:	SN3O4C15H25 (1)
Stoich.:	AB3C4D15E25 (1)
Weight, g/mol:	291.138305
ΔH_f, kcal/mol:	-203.98
Dipole, Da:	4.4
IP(EA), eV:	-9.42(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)CSCC1=C([C@@H](NC(=O)N1)C)C(=O)OCC

DOS

IR

Vibrations