Geometry & MOs

Info

ID:	291162
PubChem CID:	111678064
Reduced:	FON4C18H29 (1)
Stoich.:	ABC4D18E29 (1)
Weight, g/mol:	528.12583
ΔH_f, kcal/mol:	-60.84
Dipole, Da:	2.77
IP(EA), eV:	-8.75(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCN1CCCC1)OC2=CC=C(C=C2)F

DOS

IR

Vibrations