Geometry & MOs

Info

ID:	79135
PubChem CID:	49747046
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	377.109959
ΔH_f, kcal/mol:	124.76
Dipole, Da:	2.95
IP(EA), eV:	-9.34(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrazin-2-yl-5-[1-[[2-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C2CC(C1C=C2)CN3CC(C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations