Geometry & MOs

Info

ID:	82073
PubChem CID:	49855562
Reduced:	SO4N6C34H38 (1)
Stoich.:	AB4C6D34E38 (1)
Weight, g/mol:	292.096026
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	4.13
IP(EA), eV:	-8.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1COCCN1CCCNCCC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CN6C5=NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations