Geometry & MOs

Info

ID:	79042
PubChem CID:	49746513
Reduced:	BrFOSN3H13C16 (1)
Stoich.:	ABCDE3F13G16 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	54.51
Dipole, Da:	2.19
IP(EA), eV:	-9.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(3-phenylpropyl)azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C(CN1CC2=C(C=C(C=C2)Br)F)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations