Geometry & MOs

Info

ID:	1779
PubChem CID:	5041
Reduced:	ION3C21H28 (1)
Stoich.:	ABC3D21E28 (1)
Weight, g/mol:	465.12771
ΔH_f, kcal/mol:	20.67
Dipole, Da:	3.71
IP(EA), eV:	-8.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-N-methyl-3-propan-2-yloxypyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)OC1=C(N=CC=C1)N(C)C2CCN(CC2)CC3=CC=C(C=C3)I

DOS

IR

Vibrations