Geometry & MOs

Info

ID:	138753
PubChem CID:	52421059
Reduced:	NF2C4H8 (1)
Stoich.:	AB2C4D8 (1)
Weight, g/mol:	198.110574
ΔH_f, kcal/mol:	-78.07
Dipole, Da:	4.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753777
Charge, e:	1

Chem-info

IUPAC name:

(2R)-1,1,1-trifluoro-2-piperidin-1-ium-4-ylpropan-2-ol

Drug info:

PubChemData

Smile

C1CC([C@H]1[NH3+])(F)F

DOS

IR

Vibrations