Geometry & MOs

Info

ID:	309867
PubChem CID:	126563343
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	209.068808
ΔH_f, kcal/mol:	-158.53
Dipole, Da:	4.58
IP(EA), eV:	-10.5(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

C=CCOC(=O)N1C(=O)C2CCCCC2C1=O

DOS

IR

Vibrations