Geometry & MOs

Info

ID:	159388
PubChem CID:	57269790
Reduced:	O3C18H34 (1)
Stoich.:	A3B18C34 (1)
Weight, g/mol:	442.361094
ΔH_f, kcal/mol:	-174.91
Dipole, Da:	3.72
IP(EA), eV:	-9.5(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-cyclohex-3-en-1-yl-1-(4-pentylcyclohexyl)ethyl]-2-fluoro-1-pentoxybenzene

Drug info:

PubChemData

Smile

CCCCCCCC=C[C@H]1[C@H]([C@H]([C@H](CO1)C)OCCC)O

DOS

IR

Vibrations