Geometry & MOs

Info

ID:	89312
PubChem CID:	49960442
Reduced:	BrClN2O2H18C19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	400.04226
ΔH_f, kcal/mol:	1.37
Dipole, Da:	5.23
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-methylphenoxy)methyl]-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations