Geometry & MOs

Info

ID:	174463
PubChem CID:	75765995
Reduced:	FOCl2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	412.135871
ΔH_f, kcal/mol:	-51.15
Dipole, Da:	2.29
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazolidin-1-ium-1-ylpropan-1-amine

Drug info:

PubChemData

Smile

C1CN(CN1)CCCNCC2=C(C=CC(=C2)Cl)OCC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations