Geometry & MOs

Info

ID:	291067
PubChem CID:	111677849
Reduced:	FIO2N4C21H30 (1)
Stoich.:	ABC2D4E21F30 (1)
Weight, g/mol:	546.13033
ΔH_f, kcal/mol:	-95.05
Dipole, Da:	7.43
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCCCN2C=CC=CC2=O.I

DOS

IR

Vibrations