Geometry & MOs

Info

ID:	89224
PubChem CID:	49960056
Reduced:	BrN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	296.116092
ΔH_f, kcal/mol:	-0.72
Dipole, Da:	3.49
IP(EA), eV:	-8.91(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(O2)C3=CC=C(O3)Br

DOS

IR

Vibrations