Geometry & MOs

Info

ID:	89321
PubChem CID:	49960475
Reduced:	BrN2O2H23C25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	430.06922
ΔH_f, kcal/mol:	40.94
Dipole, Da:	5.02
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OCC2=NN=C(O2)/C=C/C3=CC=CC4=CC=CC=C43)Br

DOS

IR

Vibrations