Geometry & MOs

Info

ID:	122962
PubChem CID:	50828680
Reduced:	FN3O3H16C22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-21.07
Dipole, Da:	4.3
IP(EA), eV:	-8.71(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations