Geometry & MOs

Info

ID:	365674
PubChem CID:	127318395
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-92.97
Dipole, Da:	2.92
IP(EA), eV:	-9.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-4-yl)-5-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCC2=NC(=NO2)C3CCOCC3

DOS

IR

Vibrations