Geometry & MOs

Info

ID:	89231
PubChem CID:	49960081
Reduced:	Br2N2O3H18C22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	389.00112
ΔH_f, kcal/mol:	5.6
Dipole, Da:	4.02
IP(EA), eV:	-9.01(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations