Geometry & MOs

Info

ID:	157047
PubChem CID:	56413054
Reduced:	ClN3O3C24H36 (1)
Stoich.:	AB3C3D24E36 (1)
Weight, g/mol:	489.262757
ΔH_f, kcal/mol:	-152.5
Dipole, Da:	2.44
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidine-1-carbonyl]-2-(2-phenylethyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C(C(C)C)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations