Geometry & MOs

Info

ID:	89287
PubChem CID:	49960260
Reduced:	BrN2O2H21C23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	509.99767
ΔH_f, kcal/mol:	26.97
Dipole, Da:	3.7
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCC2=NN=C(O2)CC3=CC=CC4=CC=CC=C43)Br

DOS

IR

Vibrations