Geometry & MOs

Info

ID:	432626
PubChem CID:	135172762
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	507.215806
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	4.71
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dibenzofuran-2-yloxy-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)OCC(=O)N2CCC(CC2)C(CC3C4=CC=CC=C4C5=CN=CN35)O

DOS

IR

Vibrations