Geometry & MOs

Info

ID:	151629
PubChem CID:	55161766
Reduced:	ClON5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	271.124215
ΔH_f, kcal/mol:	17.63
Dipole, Da:	1.07
IP(EA), eV:	-8.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxyphenyl)-4-methylsulfonylbutan-1-amine

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC(=N2)CN3CCCC(C3)O)Cl

DOS

IR

Vibrations