Geometry & MOs

Info

ID:	79136
PubChem CID:	49747047
Reduced:	O2F3N5H14C17 (1)
Stoich.:	A2B3C5D14E17 (1)
Weight, g/mol:	377.109959
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	3.04
IP(EA), eV:	-9.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1CC2=CC=CC=C2OC(F)(F)F)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations