Geometry & MOs

Info

ID:	53585
PubChem CID:	14716781
Reduced:	O3C14H17 (2)
Stoich.:	A3B14C17 (2)
Weight, g/mol:	526.345838
ΔH_f, kcal/mol:	-259.5
Dipole, Da:	3.01
IP(EA), eV:	-9.21(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-4-(4-octan-2-yloxyphenyl)phenyl] 4-hexoxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)OC(=O)CC

DOS

IR

Vibrations