Geometry & MOs

Info

ID:	257833
PubChem CID:	103148748
Reduced:	BrNOSF3C13H19 (1)
Stoich.:	ABCDE3F13G19 (1)
Weight, g/mol:	294.135526
ΔH_f, kcal/mol:	-196.78
Dipole, Da:	2.18
IP(EA), eV:	-9.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoropyridin-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)CC1=CC(=CS1)Br

DOS

IR

Vibrations