Geometry & MOs

Info

ID:	173022
PubChem CID:	75585941
Reduced:	ClON5C25H30 (1)
Stoich.:	ABC5D25E30 (1)
Weight, g/mol:	425.198238
ΔH_f, kcal/mol:	38.46
Dipole, Da:	4.88
IP(EA), eV:	-8.7(-0.51)
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-methyl-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1CC1N2CC3=C(C2=O)C=CC(=C3)NCCC4CC4C5CCN(CC5)C6=NC=C(C=N6)Cl

DOS

IR

Vibrations