Geometry & MOs

Info

ID:	89278
PubChem CID:	49960207
Reduced:	BrN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	424.04226
ΔH_f, kcal/mol:	4.27
Dipole, Da:	5.18
IP(EA), eV:	-8.79(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations