Geometry & MOs

Info

ID:	437101
PubChem CID:	135214872
Reduced:	FNOC33H50 (1)
Stoich.:	ABCD33E50 (1)
Weight, g/mol:	519.444015
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	4.77
IP(EA), eV:	-9.09(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations