Geometry & MOs

Info

ID:	89279
PubChem CID:	49960208
Reduced:	BrN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	457.88553
ΔH_f, kcal/mol:	6.09
Dipole, Da:	4.95
IP(EA), eV:	-8.63(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC=CC4=CC=CC=C43)Br

DOS

IR

Vibrations