Geometry & MOs

Info

ID:	292883
PubChem CID:	117362350
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-10.03
Dipole, Da:	4.06
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C3C(=CC=C2)OCC(=O)N3)N

DOS

IR

Vibrations