Geometry & MOs

Info

ID:	25681
PubChem CID:	628601
Reduced:	NC23H23 (1)
Stoich.:	AB23C23 (1)
Weight, g/mol:	313.121512
ΔH_f, kcal/mol:	55.93
Dipole, Da:	0.69
IP(EA), eV:	-8.02(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline

Drug info:

PubChemData

Smile

C1CCC2=C3CCC4=CC=CC(=N4)CCC(=C2C1)C5=CC=CC=C35

DOS

IR

Vibrations