Geometry & MOs

Info

ID:	53638
PubChem CID:	14717664
Reduced:	O4F15H25C28 (1)
Stoich.:	A4B15C25D28 (1)
Weight, g/mol:	510.127721
ΔH_f, kcal/mol:	-879.58
Dipole, Da:	3.22
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylbutoxycarbonyl)phenyl] 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzoate

Drug info:

PubChemData

Smile

CCC(C)CCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations