Geometry & MOs

Info

ID:	291243
PubChem CID:	111978257
Reduced:	BrFION4C19H31 (1)
Stoich.:	ABCDE4F19G31 (1)
Weight, g/mol:	516.23251
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	8.43
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)NC2CCN(CC2)CCCOC.I

DOS

IR

Vibrations