Geometry & MOs

Info

ID:	167912
PubChem CID:	74896251
Reduced:	NO6C26H35 (1)
Stoich.:	AB6C26D35 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-232.68
Dipole, Da:	2.77
IP(EA), eV:	-8.29(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-benzylpiperidin-1-yl)-4-oxo-1,2,3,4a,6,7,8,8a-octahydropyrido[2,3-d]pyrimidin-5-ylidene]-6-methylpyran-2,4-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2CCCO)OC4CCC(CC4C3=O)C)OCC

DOS

IR

Vibrations