Geometry & MOs

Info

ID:

40216

PubChem CID:

8143764

Reduced:

Cl2N2O2C13H13 (1)

Stoich.:

A2B2C2D13E13 (1)

Weight, g/mol:

298.027583

ΔHf, kcal/mol:

-54.27

Dipole, Da:

14.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.909012

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dichloro-2-(pyrrolidin-1-ylmethyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

DOS

IR

Vibrations