Geometry & MOs

Info

ID:	343876
PubChem CID:	127267052
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	340.11471
ΔH_f, kcal/mol:	41.59
Dipole, Da:	6.71
IP(EA), eV:	-9.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=C(C=C1)C#N)OCC2=NN(C=C2)C

DOS

IR

Vibrations