Geometry & MOs

Info

ID:	38877
PubChem CID:	8138095
Reduced:	N3O4H17C20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	370.132885
ΔH_f, kcal/mol:	-52.19
Dipole, Da:	3.56
IP(EA), eV:	-9.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations