Geometry & MOs

Info

ID:	155194
PubChem CID:	56322619
Reduced:	INO5C15H22 (1)
Stoich.:	ABC5D15E22 (1)
Weight, g/mol:	446.10664
ΔH_f, kcal/mol:	-165.61
Dipole, Da:	3.11
IP(EA), eV:	-8.79(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-4,5-dimethoxy-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

COCCOCCCNC(=O)C1=CC(=C(C=C1I)OC)OC

DOS

IR

Vibrations