Geometry & MOs

Info

ID:	290841
PubChem CID:	111358446
Reduced:	ClON3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	516.0789
ΔH_f, kcal/mol:	3.15
Dipole, Da:	1.83
IP(EA), eV:	-8.91(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCC1=CC(=CC=C1)Cl)NCC2(CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations