Geometry & MOs

Info

ID:	174256
PubChem CID:	75745456
Reduced:	F3N3O3C23H29 (1)
Stoich.:	A3B3C3D23E29 (1)
Weight, g/mol:	406.306967
ΔH_f, kcal/mol:	-209.85
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.799537
Charge, e:	1

Chem-info

IUPAC name:

cyclohexyl-[2-hydroxy-3-[2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]propyl]-methylazanium

Drug info:

PubChemData

Smile

CNC(=O)C1CC(C[NH+]1CC2=C(C(=CC=C2)OC)OC)NCC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations