Geometry & MOs

Info

ID:	67702
PubChem CID:	46507002
Reduced:	BrOSN4H7C11 (1)
Stoich.:	ABCD4E7F11 (1)
Weight, g/mol:	335.118238
ΔH_f, kcal/mol:	70.12
Dipole, Da:	2.83
IP(EA), eV:	-8.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C=CN3C(=NNC3=S)C2=O)Br

DOS

IR

Vibrations