Geometry & MOs

Info

ID:	437115
PubChem CID:	135214902
Reduced:	FNO2C39H44 (1)
Stoich.:	ABC2D39E44 (1)
Weight, g/mol:	509.32938
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	4.35
IP(EA), eV:	-8.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenoxy]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C=C(C=C4)C5=C(C=C(C=C5)OCCN(C)C(=O)C=C)F

DOS

IR

Vibrations