Geometry & MOs

Info

ID:	291339
PubChem CID:	111978686
Reduced:	BrFN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	512.11068
ΔH_f, kcal/mol:	28.7
Dipole, Da:	2.3
IP(EA), eV:	-9.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NCCCN2C=CC=N2

DOS

IR

Vibrations