Geometry & MOs

Info

ID:	291278
PubChem CID:	111978397
Reduced:	ION4C20H33 (1)
Stoich.:	ABC4D20E33 (1)
Weight, g/mol:	575.05568
ΔH_f, kcal/mol:	-40.83
Dipole, Da:	4.43
IP(EA), eV:	-9.22(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-[1-(6-methylpyridin-2-yl)piperidin-4-yl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)C(C)(C)C)NC2CCC(=O)N(C2)C.I

DOS

IR

Vibrations