Geometry & MOs

Info

ID:	436014
PubChem CID:	135193365
Reduced:	OF2C21H30 (1)
Stoich.:	AB2C21D30 (1)
Weight, g/mol:	404.325458
ΔH_f, kcal/mol:	-143.39
Dipole, Da:	4.33
IP(EA), eV:	-8.93(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene

Drug info:

PubChemData

Smile

CCCCCOC1=C(C(=C(C=C1)CCC2CCC(CC2)C=C)F)F

DOS

IR

Vibrations