Geometry & MOs

Info

ID:	89309
PubChem CID:	49960435
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	326.141913
ΔH_f, kcal/mol:	-5.55
Dipole, Da:	4.68
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations