Geometry & MOs

Info

ID:	291376
PubChem CID:	112178415
Reduced:	ClOF3N5C19H23 (1)
Stoich.:	ABC3D5E19F23 (1)
Weight, g/mol:	476.14707
ΔH_f, kcal/mol:	-125.52
Dipole, Da:	8.35
IP(EA), eV:	-9.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpiperidin-3-yl)-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=NC(=NO1)C2=CC(=CC=C2)Cl)NC3CCC(CC3)C(F)(F)F

DOS

IR

Vibrations