Geometry & MOs

Info

ID:	89091
PubChem CID:	49959338
Reduced:	Br2N2O5H18C19 (1)
Stoich.:	A2B2C5D18E19 (1)
Weight, g/mol:	448.06338
ΔH_f, kcal/mol:	-102.4
Dipole, Da:	6.03
IP(EA), eV:	-8.69(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-ethylphenoxy)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)Br)Br

DOS

IR

Vibrations