Geometry & MOs

Info

ID:	260044
PubChem CID:	103179364
Reduced:	NO3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	261.093185
ΔH_f, kcal/mol:	-164.08
Dipole, Da:	3.91
IP(EA), eV:	-8.93(2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline

Drug info:

PubChemData

Smile

CCC1(CC(CCO1)NCCOCCCOC)CC

DOS

IR

Vibrations