Geometry & MOs

Info

ID:	88994
PubChem CID:	49958604
Reduced:	ClN2O2H15C21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	443.98763
ΔH_f, kcal/mol:	51.63
Dipole, Da:	3.02
IP(EA), eV:	-9.13(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2/C=C/C3=NN=C(O3)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations