Geometry & MOs

Info

ID:	89324
PubChem CID:	49960501
Reduced:	BrN2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	416.07356
ΔH_f, kcal/mol:	-18.19
Dipole, Da:	3.72
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations