Geometry & MOs

Info

ID:	171287
PubChem CID:	75353745
Reduced:	BrSN2O2H13C16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	326.141913
ΔH_f, kcal/mol:	41.68
Dipole, Da:	4.21
IP(EA), eV:	-9.12(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methylphenyl)ethenyl]-5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2=NN=C(O2)C=CC3=CC=CS3

DOS

IR

Vibrations