Geometry & MOs

Info

ID:	121380
PubChem CID:	50765645
Reduced:	F3N3O3H16C19 (1)
Stoich.:	A3B3C3D16E19 (1)
Weight, g/mol:	411.176976
ΔH_f, kcal/mol:	-139.56
Dipole, Da:	4.52
IP(EA), eV:	-9.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazol-3-yl]ethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN(CCC1=NOC(=N1)COC2=CC=CC=C2F)C(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations