Geometry & MOs

Info

ID:	365654
PubChem CID:	127318375
Reduced:	N4O4C15H20 (1)
Stoich.:	A4B4C15D20 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	-94.08
Dipole, Da:	2.81
IP(EA), eV:	-9.79(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,5-dimethylpyrazol-3-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC2=NC(=NO2)C3CCOCC3)C4CC4

DOS

IR

Vibrations