Geometry & MOs

Info

ID:	89025
PubChem CID:	49958793
Reduced:	N3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	391.99272
ΔH_f, kcal/mol:	5.76
Dipole, Da:	5.51
IP(EA), eV:	-8.81(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2,6-dimethylphenoxy)methyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC2=NN=C(O2)C3=CC=NC=C3

DOS

IR

Vibrations