Geometry & MOs

Info

ID:	168773
PubChem CID:	75016717
Reduced:	SO4C10H14 (2)
Stoich.:	AB4C10D14 (2)
Weight, g/mol:	279.00818
ΔH_f, kcal/mol:	-289.18
Dipole, Da:	4.11
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-(trifluoromethyl)morpholin-4-ium-2-ol;bromide

Drug info:

PubChemData

Smile

CC1(CCC2C3(C1C4C(C5(C3(C(=O)CC(O5)(C)C=C)OS(=O)O2)C)OS(=O)O4)C)C

DOS

IR

Vibrations