Geometry & MOs

Info

ID:	437100
PubChem CID:	135214871
Reduced:	FNOC34H52 (1)
Stoich.:	ABCD34E52 (1)
Weight, g/mol:	495.387643
ΔH_f, kcal/mol:	-144.24
Dipole, Da:	2.42
IP(EA), eV:	-9.15(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C3CCC(CC3)C4CCC(CC4)N(C)C(=O)C(=C)C)F

DOS

IR

Vibrations