Geometry & MOs

Info

ID:	432552
PubChem CID:	135172685
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	466.200491
ΔH_f, kcal/mol:	-4.46
Dipole, Da:	5.28
IP(EA), eV:	-8.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-(2-quinolin-6-yloxyacetyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O)C5=CC=CC=C5

DOS

IR

Vibrations