Geometry & MOs

Info

ID:	269831
PubChem CID:	103619299
Reduced:	NSF3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	263.095555
ΔH_f, kcal/mol:	-156.27
Dipole, Da:	3.51
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CNCCSC(F)(F)F)C

DOS

IR

Vibrations