Geometry & MOs

Info

ID:	89323
PubChem CID:	49960488
Reduced:	BrN2O3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	442.08921
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	4.19
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-tert-butylphenoxy)methyl]-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(O2)COC3=C(C=C(C=C3)C(C)(C)C)Br

DOS

IR

Vibrations