Geometry & MOs

Info

ID:	270800
PubChem CID:	103638172
Reduced:	NO2F3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	290.070069
ΔH_f, kcal/mol:	-234.97
Dipole, Da:	4.96
IP(EA), eV:	-8.73(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzothiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CN(CCO)CC(F)(F)F

DOS

IR

Vibrations