Geometry & MOs

Info

ID:	174505
PubChem CID:	75775368
Reduced:	FO4N6C27H39 (1)
Stoich.:	AB4C6D27E39 (1)
Weight, g/mol:	514.306767
ΔH_f, kcal/mol:	-150.15
Dipole, Da:	5.3
IP(EA), eV:	-8.47(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[4-[1-[2-fluoro-4-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carbonyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCCC(C3)C(=O)N4CCN(CC4)CC(=O)NCCCOC)F

DOS

IR

Vibrations