Geometry & MOs

Info

ID:	174520
PubChem CID:	75776376
Reduced:	FO2N4C26H31 (1)
Stoich.:	AB2C4D26E31 (1)
Weight, g/mol:	422.211804
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	4.06
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-[2-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCCC(C3)C(=O)NCCC4=CC=C(C=C4)C)F

DOS

IR

Vibrations