Geometry & MOs

Info

ID:	171281
PubChem CID:	75353690
Reduced:	BrON2H15C21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	334.077599
ΔH_f, kcal/mol:	85.36
Dipole, Da:	3.89
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(naphthalen-1-yloxymethyl)-5-(2-thiophen-2-ylethenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)C=CC3=CC=CC4=CC=CC=C43)Br

DOS

IR

Vibrations