Geometry & MOs

Info

ID:	433028
PubChem CID:	135173165
Reduced:	ON4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	408.95351
ΔH_f, kcal/mol:	67.42
Dipole, Da:	3.65
IP(EA), eV:	-8.36(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-iodo-4,5-dihydro-1,2-oxazol-5-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CNC1=NC=C(C=C1)C2=CC3=C(C=C2)N=C4N3C(COC4)C5=CC=CC=C5

DOS

IR

Vibrations