Geometry & MOs

Info

ID:	291322
PubChem CID:	111978634
Reduced:	BrFON4C19H22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	541.13723
ΔH_f, kcal/mol:	-19.68
Dipole, Da:	4.23
IP(EA), eV:	-9.28(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)C(=O)N(C)C)NCC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations