Geometry & MOs

Info

ID:	365622
PubChem CID:	127318343
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	299.138225
ΔH_f, kcal/mol:	-14.84
Dipole, Da:	2.47
IP(EA), eV:	-9.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(oxan-3-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C2=NC(=NO2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations