Geometry & MOs

Info

ID:	136142
PubChem CID:	51986775
Reduced:	FCl2N2O2C23H29 (1)
Stoich.:	AB2C2D2E23F29 (1)
Weight, g/mol:	368.166684
ΔH_f, kcal/mol:	-108.14
Dipole, Da:	3.47
IP(EA), eV:	-8.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl-[3-(2-hydroxyethylazaniumyl)propyl]azanium

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CNCC2=CC(=C(C(=C2)Cl)OCC3=C(C=CC=C3Cl)F)OCC

DOS

IR

Vibrations