Geometry & MOs

Info

ID:	291155
PubChem CID:	111678052
Reduced:	FON7C22H32 (1)
Stoich.:	ABC7D22E32 (1)
Weight, g/mol:	530.11902
ΔH_f, kcal/mol:	-8.5
Dipole, Da:	2.43
IP(EA), eV:	-8.46(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCN1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations