Geometry & MOs

Info

ID:	291326
PubChem CID:	111978643
Reduced:	FION4C23H30 (1)
Stoich.:	ABCD4E23F30 (1)
Weight, g/mol:	494.96186
ΔH_f, kcal/mol:	-38.13
Dipole, Da:	4.9
IP(EA), eV:	-9.49(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(NCC1=CC(=CC=C1)F)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3.I

DOS

IR

Vibrations