Geometry & MOs

Info

ID:	291351
PubChem CID:	111978720
Reduced:	BrON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	499.01315
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	4.3
IP(EA), eV:	-9.03(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2-fluorophenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)C(=NC)NCC2=CC=C(C=C2)Br

DOS

IR

Vibrations