Geometry & MOs

Info

ID:	89275
PubChem CID:	49960191
Reduced:	BrON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	362.126657
ΔH_f, kcal/mol:	11.5
Dipole, Da:	2.98
IP(EA), eV:	-9.47(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)C2=CC(=C(C=C2)C)Br

DOS

IR

Vibrations