Geometry & MOs

Info

ID:	337028
PubChem CID:	127256593
Reduced:	NO4H9C13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	297.100108
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	3.97
IP(EA), eV:	-8.28(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-isoindol-2-ylacetyl) 5-oxocyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=CN(C=C2C=C1)CC(=O)OC(=O)C=C=O

DOS

IR

Vibrations