Geometry & MOs

Info

ID:	172381
PubChem CID:	75501360
Reduced:	ON3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	340.11471
ΔH_f, kcal/mol:	-35.0
Dipole, Da:	4.59
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)NC2CCN(CC2)C(=O)CC(C)(C)C

DOS

IR

Vibrations