Geometry & MOs

Info

ID:	174461
PubChem CID:	75765993
Reduced:	OCl3N3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	413.143696
ΔH_f, kcal/mol:	13.45
Dipole, Da:	2.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752521
Charge, e:	2

Chem-info

IUPAC name:

[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl-(3-imidazolidin-1-ium-1-ylpropyl)azanium

Drug info:

PubChemData

Smile

C1C[NH+](CN1)CCCNCC2=C(C=CC(=C2)Cl)OCC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations