Geometry & MOs

Info

ID:	88992
PubChem CID:	49958568
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	372.04734
ΔH_f, kcal/mol:	0.97
Dipole, Da:	4.91
IP(EA), eV:	-8.72(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations