Geometry & MOs

Info

ID:	437107
PubChem CID:	135214883
Reduced:	FNOC33H44 (1)
Stoich.:	ABCD33E44 (1)
Weight, g/mol:	501.284321
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	2.65
IP(EA), eV:	-8.96(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)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)N(C)C(=O)C=C)F

DOS

IR

Vibrations