Geometry & MOs

Info

ID:	437106
PubChem CID:	135214882
Reduced:	NOC36H51 (1)
Stoich.:	ABC36D51 (1)
Weight, g/mol:	489.340693
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	4.21
IP(EA), eV:	-9.02(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCCN(C)C(=O)C=C

DOS

IR

Vibrations