Geometry & MOs

Info

ID:	338902
PubChem CID:	127259913
Reduced:	O6H16C17 (1)
Stoich.:	A6B16C17 (1)
Weight, g/mol:	246.086764
ΔH_f, kcal/mol:	-202.97
Dipole, Da:	10.45
IP(EA), eV:	-9.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoropropyl 3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1O)C(=O)O)OC(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations