Geometry & MOs

Info

ID:	89055
PubChem CID:	49959020
Reduced:	BrN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	332.116092
ΔH_f, kcal/mol:	-4.55
Dipole, Da:	3.44
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)COC3=CC4=CC=CC=C4C=C3)C)Br

DOS

IR

Vibrations