Geometry & MOs

Info

ID:	58368
PubChem CID:	24698038
Reduced:	SN3O5C10H13 (1)
Stoich.:	AB3C5D10E13 (1)
Weight, g/mol:	219.087098
ΔH_f, kcal/mol:	-182.63
Dipole, Da:	7.52
IP(EA), eV:	-10.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,2,2-trifluoroethylamino)ethyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)S(=O)(=O)NC(CCC(=O)N)C(=O)O

DOS

IR

Vibrations