Geometry & MOs

Info

ID:	291333
PubChem CID:	111978663
Reduced:	IO2N4C20H33 (1)
Stoich.:	AB2C4D20E33 (1)
Weight, g/mol:	458.98185
ΔH_f, kcal/mol:	-61.27
Dipole, Da:	4.02
IP(EA), eV:	-8.99(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCOCCNC(=NC)NCC(=O)N1CCC(CC1)CC2=CC=CC=C2.I

DOS

IR

Vibrations