Geometry & MOs

Info

ID:	89022
PubChem CID:	49958772
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	330.99564
ΔH_f, kcal/mol:	47.05
Dipole, Da:	7.41
IP(EA), eV:	-9.05(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/C2=NN=C(O2)C3=CC=NC=C3

DOS

IR

Vibrations