Geometry & MOs

Info

ID:	270489
PubChem CID:	103636830
Reduced:	SO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	232.076039
ΔH_f, kcal/mol:	-9.1
Dipole, Da:	7.46
IP(EA), eV:	-9.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CN=C(C=C1)NCCCN2C=CC=N2

DOS

IR

Vibrations