Geometry & MOs

Info

ID:	89316
PubChem CID:	49960462
Reduced:	BrNOH6C8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	430.05282
ΔH_f, kcal/mol:	29.25
Dipole, Da:	4.8
IP(EA), eV:	-9.07(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2=NN=C(O2)C3=CC=CC=C3Br

DOS

IR

Vibrations