Geometry & MOs

Info

ID:	89073
PubChem CID:	49959153
Reduced:	BrN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	398.00662
ΔH_f, kcal/mol:	1.78
Dipole, Da:	4.25
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-bromonaphthalen-2-yl)oxymethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(O2)COC3=C(C4=CC=CC=C4C=C3)Br

DOS

IR

Vibrations