Geometry & MOs

Info

ID:	171283
PubChem CID:	75353692
Reduced:	BrN2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	419.98763
ΔH_f, kcal/mol:	37.85
Dipole, Da:	3.74
IP(EA), eV:	-9.12(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)C=CC3=CC=CO3)Br

DOS

IR

Vibrations