Geometry & MOs

Info

ID:	291000
PubChem CID:	111677770
Reduced:	FON6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	540.13975
ΔH_f, kcal/mol:	16.83
Dipole, Da:	2.39
IP(EA), eV:	-8.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=NC=C(C=C2)CNC(=NC)NCC(C)OC3=CC=C(C=C3)F

DOS

IR

Vibrations