Geometry & MOs

Info

ID:	89149
PubChem CID:	49959679
Reduced:	BrFN2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	430.05282
ΔH_f, kcal/mol:	-21.85
Dipole, Da:	4.76
IP(EA), eV:	-9.14(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC=C(C=C3)F)Br

DOS

IR

Vibrations