Geometry & MOs

Info

ID:	291140
PubChem CID:	111677962
Reduced:	FON6C22H31 (1)
Stoich.:	ABC6D22E31 (1)
Weight, g/mol:	494.1554
ΔH_f, kcal/mol:	-17.73
Dipole, Da:	3.3
IP(EA), eV:	-8.3(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-3-[[N-ethyl-N'-[2-(4-fluorophenoxy)propyl]carbamimidoyl]amino]propanamide;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CC(=NC=C1)N2CCN(CC2)C)OC3=CC=C(C=C3)F

DOS

IR

Vibrations