Geometry & MOs

Info

ID:	290995
PubChem CID:	111677763
Reduced:	FIO2N5C19H31 (1)
Stoich.:	ABC2D5E19F31 (1)
Weight, g/mol:	447.09314
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	1.99
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCN1CCN(CC1)C(=O)C)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations