Geometry & MOs

Info

ID:	257815
PubChem CID:	103148712
Reduced:	NOF3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	327.101305
ΔH_f, kcal/mol:	-207.98
Dipole, Da:	4.14
IP(EA), eV:	-9.2(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)C1=CC=CC(=C1)CC

DOS

IR

Vibrations