Geometry & MOs

Info

ID:	141353
PubChem CID:	52865333
Reduced:	OF2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	417.064697
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	6.72
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-hydroxyphenyl)-[(3S)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NNC(=C1)C2=C(C=CC=C2F)F

DOS

IR

Vibrations