Geometry & MOs

Info

ID:	89306
PubChem CID:	49960422
Reduced:	BrClN2O2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	379.95633
ΔH_f, kcal/mol:	-18.25
Dipole, Da:	4.16
IP(EA), eV:	-9.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)COC2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations