Geometry & MOs

Info

ID:	175955
PubChem CID:	75973484
Reduced:	NOSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-53.27
Dipole, Da:	0.51
IP(EA), eV:	-8.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(3,4-dimethylphenyl)pyrazolidin-3-yl]-3-phenyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=CSC3CCCCC3C2=O

DOS

IR

Vibrations