Geometry & MOs

Info

ID:	40215
PubChem CID:	8143763
Reduced:	OSN4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	299.035408
ΔH_f, kcal/mol:	47.42
Dipole, Da:	2.89
IP(EA), eV:	-8.83(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=S)OC(=N2)C3=CN=CC=C3

DOS

IR

Vibrations