Geometry & MOs

Info

ID:	291325
PubChem CID:	111978641
Reduced:	IOSN5C23H34 (1)
Stoich.:	ABCD5E23F34 (1)
Weight, g/mol:	524.14484
ΔH_f, kcal/mol:	-7.1
Dipole, Da:	3.64
IP(EA), eV:	-9.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NCCC3=CSC(=N3)C.I

DOS

IR

Vibrations