Geometry & MOs

Info

ID:	89214
PubChem CID:	49959925
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	374.0266
ΔH_f, kcal/mol:	9.79
Dipole, Da:	4.17
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)C3CC3)Br

DOS

IR

Vibrations