Geometry & MOs

Info

ID:	277247
PubChem CID:	103827463
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	22.29
Dipole, Da:	2.65
IP(EA), eV:	-9.88(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations