Geometry & MOs

Info

ID:	171288
PubChem CID:	75353746
Reduced:	ON2H18C22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	322.148141
ΔH_f, kcal/mol:	76.26
Dipole, Da:	4.45
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-[2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC2=NN=C(O2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations