Geometry & MOs

Info

ID:	17853
PubChem CID:	523787
Reduced:	NOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	-93.72
Dipole, Da:	2.68
IP(EA), eV:	-8.87(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-diethyl-2-methyl-1,3,4-oxadiazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations