Geometry & MOs

Info

ID:	151010
PubChem CID:	53790707
Reduced:	NC11H24 (2)
Stoich.:	AB11C24 (2)
Weight, g/mol:	326.240979
ΔH_f, kcal/mol:	-96.33
Dipole, Da:	0.41
IP(EA), eV:	-8.66(2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-butylcyclohexyl)but-3-en-1-ynyl]-2-fluoro-4-propylbenzene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(C(C)N)NC

DOS

IR

Vibrations