Geometry & MOs

Info

ID:	291324
PubChem CID:	111978639
Reduced:	BrFISN4C16H21 (1)
Stoich.:	ABCDE4F16G21 (1)
Weight, g/mol:	555.15288
ΔH_f, kcal/mol:	11.63
Dipole, Da:	5.32
IP(EA), eV:	-9.21(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NCCC2=CSC(=N2)C.I

DOS

IR

Vibrations