Geometry & MOs

Info

ID:	438131
PubChem CID:	135227754
Reduced:	BrN3H22C33 (1)
Stoich.:	AB3C22D33 (1)
Weight, g/mol:	335.97098
ΔH_f, kcal/mol:	179.14
Dipole, Da:	1.89
IP(EA), eV:	-9.25(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-5-(3,5-difluorophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=NC(=NC(=N3)C4=CC(=CC=C4)Br)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations