Geometry & MOs

Info

ID:	79045
PubChem CID:	49746525
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	15.48
Dipole, Da:	2.24
IP(EA), eV:	-8.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(4-propan-2-ylphenyl)methyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2CC(C2)C3=NC(=NO3)C4=CC=CS4)OC

DOS

IR

Vibrations