Geometry & MOs

Info

ID:	432820
PubChem CID:	135172957
Reduced:	ClO2N4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	504.216141
ΔH_f, kcal/mol:	-2.12
Dipole, Da:	5.05
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(9H-carbazol-3-yloxy)acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations