Geometry & MOs

Info

ID:	257778
PubChem CID:	103148545
Reduced:	NSF3O3C12H24 (1)
Stoich.:	ABC3D3E12F24 (1)
Weight, g/mol:	313.085654
ΔH_f, kcal/mol:	-317.89
Dipole, Da:	5.58
IP(EA), eV:	-8.81(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CCNC(CCCS(=O)(=O)CC)CCOCC(F)(F)F

DOS

IR

Vibrations