Geometry & MOs

Info

ID:	338750
PubChem CID:	127259761
Reduced:	O2F3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	316.165014
ΔH_f, kcal/mol:	-249.44
Dipole, Da:	4.02
IP(EA), eV:	-9.71(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(trifluoromethyl)octyl 2-phenylacetate

Drug info:

PubChemData

Smile

CC(CCOC(=O)CC1=CC=CC=C1)C(F)(F)F

DOS

IR

Vibrations