Geometry & MOs

Info

ID:	127959
PubChem CID:	51024860
Reduced:	ON2C25H30 (1)
Stoich.:	AB2C25D30 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-18.54
Dipole, Da:	5.25
IP(EA), eV:	-8.37(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3aS,4R,7R,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@H]2[C@H]4CC[C@@H]3C4)C5=CC=CC=C5

DOS

IR

Vibrations