Geometry & MOs

Info

ID:	89299
PubChem CID:	49960365
Reduced:	BrClN2O2H16C19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	384.04734
ΔH_f, kcal/mol:	24.96
Dipole, Da:	5.14
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-ethylphenoxy)methyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)/C=C/C3=CC=CC=C3Cl)Br

DOS

IR

Vibrations