Geometry & MOs

Info

ID:	89222
PubChem CID:	49960051
Reduced:	N2O2H20C23 (1)
Stoich.:	A2B2C20D23 (1)
Weight, g/mol:	416.07356
ΔH_f, kcal/mol:	47.0
Dipole, Da:	4.5
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2,6-dimethylphenoxy)methyl]-5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(O2)/C=C/C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations