Geometry & MOs

Info

ID:	89303
PubChem CID:	49960400
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	389.97707
ΔH_f, kcal/mol:	9.63
Dipole, Da:	4.03
IP(EA), eV:	-8.87(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-chlorophenoxy)methyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)COC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations