Geometry & MOs

Info

ID:	88954
PubChem CID:	49958175
Reduced:	BrN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	14.95
Dipole, Da:	3.34
IP(EA), eV:	-9.14(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations