Geometry & MOs

Info

ID:	277246
PubChem CID:	103827457
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	27.55
Dipole, Da:	3.35
IP(EA), eV:	-10.08(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations