Geometry & MOs

Info

ID:	168011
PubChem CID:	74911965
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-93.23
Dipole, Da:	3.45
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenoxy]but-2-enoate

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)C2=CC=C(C=C2)OCC=CC(=O)OCC

DOS

IR

Vibrations