Geometry & MOs

Info

ID:	176142
PubChem CID:	76000595
Reduced:	N2O7C26H32 (1)
Stoich.:	A2B7C26D32 (1)
Weight, g/mol:	558.272987
ΔH_f, kcal/mol:	-162.38
Dipole, Da:	3.95
IP(EA), eV:	-8.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1,3-benzodioxol-5-ylmethyl)-2-oxo-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C12CCCC=C1N(C(=O)C(C2)CC(=O)N3CCOCC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations