Geometry & MOs

Info

ID:	133337
PubChem CID:	51510644
Reduced:	ClO3N6C25H41 (1)
Stoich.:	AB3C6D25E41 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-128.39
Dipole, Da:	5.23
IP(EA), eV:	-8.81(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2CCCCC2C(N1)C(=O)N3CCN(CC3)C4CNN(C(=O)C4Cl)C5CCCCC5

DOS

IR

Vibrations