Geometry & MOs

Info

ID:	441109
PubChem CID:	135233146
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	413.191483
ΔH_f, kcal/mol:	-211.86
Dipole, Da:	5.99
IP(EA), eV:	-9.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-ditert-butyl-2-nitrosophenyl)-5-[2-fluoro-6-(fluoromethyl)phenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=C(OC1=O)C(C)CC/C=C/NC(=O)OC)C

DOS

IR

Vibrations