Geometry & MOs

Info

ID:	426850
PubChem CID:	135154158
Reduced:	ClO3N5C27H30 (1)
Stoich.:	AB3C5D27E30 (1)
Weight, g/mol:	483.0655
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	4.22
IP(EA), eV:	-8.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-iodo-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C(=O)N[C@@H]2CCCC3=CC=CC=C23)N4CCC(CC4)OC5=CN=C(C=C5)OC

DOS

IR

Vibrations