Geometry & MOs

Info

ID:	437108
PubChem CID:	135214894
Reduced:	NOF2C33H37 (1)
Stoich.:	ABC2D33E37 (1)
Weight, g/mol:	529.334465
ΔH_f, kcal/mol:	-95.58
Dipole, Da:	2.23
IP(EA), eV:	-9.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[2-ethyl-4-[4-(4-pentylphenyl)phenyl]phenyl]phenyl]propyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC(=C(C=C3)C4CCC(CC4)N(C)C(=O)C=C)F)F

DOS

IR

Vibrations