Geometry & MOs

Info

ID:	89301
PubChem CID:	49960377
Reduced:	BrN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	444.06847
ΔH_f, kcal/mol:	3.13
Dipole, Da:	4.99
IP(EA), eV:	-9.16(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)/C=C/C3=CC=CO3)Br

DOS

IR

Vibrations