Geometry & MOs

Info

ID:	38780
PubChem CID:	8137917
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-110.76
Dipole, Da:	3.5
IP(EA), eV:	-8.95(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,5-dimethylfuran-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations