Geometry & MOs

Info

ID:	181599
PubChem CID:	76765182
Reduced:	F2O3N4C26H36 (1)
Stoich.:	A2B3C4D26E36 (1)
Weight, g/mol:	543.428759
ΔH_f, kcal/mol:	-179.68
Dipole, Da:	3.02
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopentyl(methyl)amino]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxynonadecan-4-one

Drug info:

PubChemData

Smile

CON=C1CC2(CCN(CC2)C(=O)C3(CCN(CC3)CC4CCNCC4)F)OC5=C1C=C(C=C5)F

DOS

IR

Vibrations