Geometry & MOs

Info

ID:	89120
PubChem CID:	49959511
Reduced:	Cl2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	316.06147
ΔH_f, kcal/mol:	-37.84
Dipole, Da:	2.86
IP(EA), eV:	-9.11(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-2-methylphenoxy)methyl]-5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)C

DOS

IR

Vibrations