Geometry & MOs

Info

ID:	133501
PubChem CID:	51537408
Reduced:	ON7C26H29 (1)
Stoich.:	AB7C26D29 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	86.39
Dipole, Da:	3.71
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-chloro-4-methylphenyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

DOS

IR

Vibrations