Geometry & MOs

Info

ID:	53625
PubChem CID:	14717646
Reduced:	O3F11H25C30 (1)
Stoich.:	A3B11C25D30 (1)
Weight, g/mol:	542.169192
ΔH_f, kcal/mol:	-617.04
Dipole, Da:	4.4
IP(EA), eV:	-9.04(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations