Geometry & MOs

Info

ID:	338749
PubChem CID:	127259760
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	260.102414
ΔH_f, kcal/mol:	-113.57
Dipole, Da:	3.47
IP(EA), eV:	-9.5(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4,4-trifluoro-3-methylbutyl) 2-phenylacetate

Drug info:

PubChemData

Smile

C=CCOC1CCCC(C1)OC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations