Geometry & MOs

Info

ID:	315480
PubChem CID:	126626953
Reduced:	F3O4C31H31 (1)
Stoich.:	A3B4C31D31 (1)
Weight, g/mol:	304.014583
ΔH_f, kcal/mol:	-261.85
Dipole, Da:	3.79
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,3,3-trifluoro-2-(trifluoromethyl)propyl] 2-(trifluoromethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC1C2=CC=C(C=C2)OC3CCC4=C3C=CC(=C4C5=CC=C(C=C5)OCC6(CCOCC6)O)C(F)(F)F

DOS

IR

Vibrations