Geometry & MOs

Info

ID:	290737
PubChem CID:	109890824
Reduced:	N5C22H25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	449.01671
ΔH_f, kcal/mol:	91.84
Dipole, Da:	3.29
IP(EA), eV:	-8.64(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-(4-methylphenyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC=CC(=C2)CN=C(N)NC3=CC=CC4=C3CCCC4

DOS

IR

Vibrations