Geometry & MOs

Info

ID:	290614
PubChem CID:	109768214
Reduced:	ISCl2N4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	443.14336
ΔH_f, kcal/mol:	47.2
Dipole, Da:	5.91
IP(EA), eV:	-8.62(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopent-3-en-1-yl-3-ethyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CC(=C(N1C)Cl)Cl)C2=CSC=C2.I

DOS

IR

Vibrations