Geometry & MOs

Info

ID:	89320
PubChem CID:	49960474
Reduced:	BrN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	462.09429
ΔH_f, kcal/mol:	0.06
Dipole, Da:	4.97
IP(EA), eV:	-8.97(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)C(C)(C)C)Br

DOS

IR

Vibrations