Geometry & MOs

Info

ID:	43624
PubChem CID:	10321557
Reduced:	ClON4C26H31 (1)
Stoich.:	ABC4D26E31 (1)
Weight, g/mol:	451.10083
ΔH_f, kcal/mol:	2.72
Dipole, Da:	3.47
IP(EA), eV:	-8.41(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[(4-iodophenoxy)methyl]phenyl]propyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)N(C3=CC=CC=C23)CCCN4CCN(CC4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations