Geometry & MOs

Info

ID:	442699
PubChem CID:	135255831
Reduced:	NF2O2C10H12 (2)
Stoich.:	AB2C2D10E12 (2)
Weight, g/mol:	384.173528
ΔH_f, kcal/mol:	-332.61
Dipole, Da:	4.67
IP(EA), eV:	-9.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(hydroxymethyl)-2-(trifluoromethyl)pentoxy]propyl]-2-(2,2,2-trifluoroethyl)propane-1,3-diol

Drug info:

PubChemData

Smile

C/C=C(/C#N)\C(=C/C(=C)[C@@H]1CC2(CCN(CC2)C(=O)O[C@H](CO)C(F)(F)F)OC1)\F

DOS

IR

Vibrations