Geometry & MOs

Info

ID:	277242
PubChem CID:	103827445
Reduced:	ON3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	262.085461
ΔH_f, kcal/mol:	96.02
Dipole, Da:	3.11
IP(EA), eV:	-9.68(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=NC(=NO2)CC3=CC=CC=C3

DOS

IR

Vibrations