Geometry & MOs

Info

ID:	89070
PubChem CID:	49959135
Reduced:	BrN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	425.00112
ΔH_f, kcal/mol:	-21.5
Dipole, Da:	5.86
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC=CC(=C3)C)Br

DOS

IR

Vibrations