Geometry & MOs

Info

ID:	288714
PubChem CID:	104324217
Reduced:	NSF3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	291.126855
ΔH_f, kcal/mol:	-156.1
Dipole, Da:	4.85
IP(EA), eV:	-8.59(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfanyl-N-(2,2,2-trifluoro-1-phenylethyl)butan-2-amine

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NC(C2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations