Geometry & MOs

Info

ID:	88911
PubChem CID:	49957663
Reduced:	BrN2O3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	404.152478
ΔH_f, kcal/mol:	10.98
Dipole, Da:	3.33
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-naphthalen-1-ylethenyl]-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC=CC=C3C4=CC=CC=C4)Br

DOS

IR

Vibrations