Geometry & MOs

Info

ID:	277239
PubChem CID:	103827440
Reduced:	ClON3H10C16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	296.073182
ΔH_f, kcal/mol:	93.5
Dipole, Da:	3.09
IP(EA), eV:	-9.75(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=NC(=NO2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations