Geometry & MOs

Info

ID:	291373
PubChem CID:	112162086
Reduced:	OF2N4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	479.15796
ΔH_f, kcal/mol:	-116.15
Dipole, Da:	3.12
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(4-methylpentyl)-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCC1=C(C=CC(=C1)F)F)NCC2(CCCC2)C(=O)N(C)C

DOS

IR

Vibrations