Geometry & MOs

Info

ID:	88939
PubChem CID:	49957941
Reduced:	BrN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	3.82
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC(=C(C=C3)Br)C)C

DOS

IR

Vibrations