Geometry & MOs

Info

ID:	262711
PubChem CID:	103310506
Reduced:	NO4F6C10H11 (1)
Stoich.:	AB4C6D10E11 (1)
Weight, g/mol:	294.02909
ΔH_f, kcal/mol:	-496.5
Dipole, Da:	4.56
IP(EA), eV:	-10.52(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

Drug info:

PubChemData

Smile

COC(=O)C1CC(CN1C(=O)C(C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations