Geometry & MOs

Info

ID:	89092
PubChem CID:	49959339
Reduced:	BrN2O5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-94.62
Dipole, Da:	3.12
IP(EA), eV:	-8.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(4-methylphenyl)ethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)Br

DOS

IR

Vibrations