Geometry & MOs

Info

ID:	89019
PubChem CID:	49958759
Reduced:	BrClN2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	301.061804
ΔH_f, kcal/mol:	16.18
Dipole, Da:	4.59
IP(EA), eV:	-9.05(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-2-methylphenoxy)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2=NN=C(O2)C3=CC=CC=C3Cl

DOS

IR

Vibrations