Geometry & MOs

Info

ID:	17855
PubChem CID:	523789
Reduced:	N2O2C7H12 (1)
Stoich.:	A2B2C7D12 (1)
Weight, g/mol:	156.089878
ΔH_f, kcal/mol:	-82.48
Dipole, Da:	2.85
IP(EA), eV:	-8.97(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,5-trimethyl-1,3,4-oxadiazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(O1)(C)C)C(=O)C

DOS

IR

Vibrations