Geometry & MOs

Info

ID:	272507
PubChem CID:	103744067
Reduced:	ON2C4H5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	181.085127
ΔH_f, kcal/mol:	3.45
Dipole, Da:	2.1
IP(EA), eV:	-10.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(C#N)C(=O)NCCC1=NC=NO1

DOS

IR

Vibrations