Geometry & MOs

Info

ID:	433807
PubChem CID:	135173949
Reduced:	SF3O3N8H21C24 (1)
Stoich.:	AB3C3D8E21F24 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-145.23
Dipole, Da:	9.96
IP(EA), eV:	-8.85(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(ethoxymethyl)phenoxy]aniline

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)NC2=NC(=C3C(=N2)N(C(=O)N3C4=CC=CC5=C4C=NN5)C6CCC(C6)(F)F)N)F

DOS

IR

Vibrations