Geometry & MOs

Info

ID:	291297
PubChem CID:	111978536
Reduced:	O3N4C25H40 (1)
Stoich.:	A3B4C25D40 (1)
Weight, g/mol:	556.071
ΔH_f, kcal/mol:	-110.88
Dipole, Da:	1.7
IP(EA), eV:	-8.5(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)N3CCC(C3)COCCOC

DOS

IR

Vibrations