Geometry & MOs

Info

ID:	185356
PubChem CID:	77288997
Reduced:	SO6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-246.37
Dipole, Da:	5.85
IP(EA), eV:	-9.09(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCSC1C(C(C(C(O1)C)O)OCC2=CC=CC=C2)OC(=O)CCC(=O)C

DOS

IR

Vibrations