Geometry & MOs

Info

ID:	304045
PubChem CID:	124491694
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	4.21
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-propan-2-yloxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)Cl)C2=NOC(=N2)[C@@H]3CCCCN3

DOS

IR

Vibrations