Geometry & MOs

Info

ID:	446229
PubChem CID:	135273298
Reduced:	C2O3H5 (2)
Stoich.:	A2B3C5 (2)
Weight, g/mol:	560.34773
ΔH_f, kcal/mol:	-281.26
Dipole, Da:	1.2
IP(EA), eV:	-11.02(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-difluoro-2-[4-(4-pentylcyclohexyl)phenyl]ethyl] 3-fluoro-4-octoxybenzoate

Drug info:

PubChemData

Smile

C(O)OC(C(O)O)OCO

DOS

IR

Vibrations