Geometry & MOs

Info

ID:	432569
PubChem CID:	135172702
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-24.64
Dipole, Da:	8.27
IP(EA), eV:	-8.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridazin-4-yloxyethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)COC5=CC6=C(C=C5)NC=C6

DOS

IR

Vibrations