Geometry & MOs

Info

ID:	54175
PubChem CID:	14742771
Reduced:	O5C17H24 (1)
Stoich.:	A5B17C24 (1)
Weight, g/mol:	432.08373
ΔH_f, kcal/mol:	-202.46
Dipole, Da:	3.82
IP(EA), eV:	-9.1(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2,6-dimethylphenyl)-4-phenyl-5-[(E)-2-phenylethenyl]-5H-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCCCC(=O)C(C(=O)OCC)OC1=CC=CC(=C1)OC

DOS

IR

Vibrations