Geometry & MOs

Info

ID:	426479
PubChem CID:	135144412
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	348.109648
ΔH_f, kcal/mol:	50.36
Dipole, Da:	6.9
IP(EA), eV:	-7.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[(N-methyl-4-phenylsulfanylanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=C(C=C2)C#N)CNC3=CC=C(C=C3)OC

DOS

IR

Vibrations