Geometry & MOs

Info

ID:	372653
PubChem CID:	131301611
Reduced:	N3F4C7H9 (1)
Stoich.:	A3B4C7D9 (1)
Weight, g/mol:	247.048999
ΔH_f, kcal/mol:	-163.95
Dipole, Da:	4.33
IP(EA), eV:	-9.77(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2,2-trifluoro-1-(1-methylsulfonylpyrrolidin-3-yl)ethanol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(C(C(F)F)(F)F)N

DOS

IR

Vibrations