Geometry & MOs

Info

ID:	79131
PubChem CID:	49747040
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	103.31
Dipole, Da:	3.15
IP(EA), eV:	-9.25(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2-methylpropyl)azetidin-3-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations