Geometry & MOs

Info

ID:	446231
PubChem CID:	135273311
Reduced:	F2O3C34H48 (1)
Stoich.:	A2B3C34D48 (1)
Weight, g/mol:	490.362237
ΔH_f, kcal/mol:	-254.74
Dipole, Da:	3.99
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-difluoro-2-[4-(4-pentylcyclohexyl)phenyl]ethyl] 4-pentylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)OCCC2=CC=C(C=C2)C3CCC(CC3)CCCCC)F)F

DOS

IR

Vibrations