Geometry & MOs

Info

ID:

172615

PubChem CID:

75530490

Reduced:

ClNOF3C6H10 (1)

Stoich.:

ABCD3E6F10 (1)

Weight, g/mol:

179.986158

ΔHf, kcal/mol:

-196.25

Dipole, Da:

3.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750265

Charge, e:

 -1

Chem-info

IUPAC name:

2-(trifluoromethylsulfanyl)ethanamine;chloride

Drug info:

PubChemData

Smile

C1CNCCC1OC(F)(F)F.[Cl-]

DOS

IR

Vibrations