Geometry & MOs

Info

ID:	89313
PubChem CID:	49960452
Reduced:	BrN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	384.183778
ΔH_f, kcal/mol:	-4.65
Dipole, Da:	6.89
IP(EA), eV:	-9.01(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations