Geometry & MOs

Info

ID:	89319
PubChem CID:	49960465
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	400.07864
ΔH_f, kcal/mol:	-0.26
Dipole, Da:	4.79
IP(EA), eV:	-9.27(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations