Geometry & MOs

Info

ID:	174462
PubChem CID:	75765994
Reduced:	FOCl2N3C20H26 (1)
Stoich.:	ABC2D3E20F26 (1)
Weight, g/mol:	411.128046
ΔH_f, kcal/mol:	-52.67
Dipole, Da:	0.96
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[NH+](CN1)CCC[NH2+]CC2=C(C=CC(=C2)Cl)OCC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations