Geometry & MOs

Info

ID:	88987
PubChem CID:	49958500
Reduced:	ClON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	425.95375
ΔH_f, kcal/mol:	4.25
Dipole, Da:	3.22
IP(EA), eV:	-9.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-ethylphenoxy)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(O2)C3=CC=CC=C3Cl

DOS

IR

Vibrations