Geometry & MOs

Info

ID:	155051
PubChem CID:	56320467
Reduced:	FN4O4C24H27 (1)
Stoich.:	AB4C4D24E27 (1)
Weight, g/mol:	456.196154
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	6.95
IP(EA), eV:	-8.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)CN2CCCC(C2)C3=NC(=NO3)C4=CC(=CC=C4)F)OC

DOS

IR

Vibrations