Geometry & MOs

Info

ID:	432565
PubChem CID:	135172698
Reduced:	O3N4C27H32 (1)
Stoich.:	A3B4C27D32 (1)
Weight, g/mol:	518.231791
ΔH_f, kcal/mol:	-48.94
Dipole, Da:	4.14
IP(EA), eV:	-8.43(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[dibenzofuran-3-yl(methyl)amino]acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations