Geometry & MOs

Info

ID:	257814
PubChem CID:	103148711
Reduced:	NSF3O3C13H26 (1)
Stoich.:	ABC3D3E13F26 (1)
Weight, g/mol:	303.180999
ΔH_f, kcal/mol:	-322.28
Dipole, Da:	4.99
IP(EA), eV:	-8.78(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylphenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations