Geometry & MOs

Info

ID:	446230
PubChem CID:	135273301
Reduced:	F3O3C34H47 (1)
Stoich.:	A3B3C34D47 (1)
Weight, g/mol:	542.357152
ΔH_f, kcal/mol:	-309.78
Dipole, Da:	2.96
IP(EA), eV:	-9.36(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OCC(C2=CC=C(C=C2)C3CCC(CC3)CCCCC)(F)F)F

DOS

IR

Vibrations