Geometry & MOs

Info

ID:	269830
PubChem CID:	103619298
Reduced:	NSO2F3C13H18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	263.095555
ΔH_f, kcal/mol:	-221.01
Dipole, Da:	3.27
IP(EA), eV:	-8.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CNCCSC(F)(F)F)OC

DOS

IR

Vibrations