Geometry & MOs

Info

ID:	173023
PubChem CID:	75585942
Reduced:	ClON5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	411.182588
ΔH_f, kcal/mol:	20.32
Dipole, Da:	4.87
IP(EA), eV:	-8.53(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

CN1CC2=C(C1=O)C=CC(=C2)NCCC3CC3C4CCN(CC4)C5=NC=C(C=N5)Cl

DOS

IR

Vibrations