Geometry & MOs

Info

ID:	432581
PubChem CID:	135172715
Reduced:	ClFO2N4C26H28 (1)
Stoich.:	ABC2D4E26F28 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	-62.14
Dipole, Da:	6.84
IP(EA), eV:	-8.93(-0.56)
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-pyridazin-4-yloxyacetyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations