Geometry & MOs

Info

ID:	398039
PubChem CID:	135031460
Reduced:	ClNC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	283.084458
ΔH_f, kcal/mol:	16.63
Dipole, Da:	1.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783051
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3S)-2-(furan-2-yl)oxolan-3-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H]1CCC[N+]1=CC2=CC=CC=C2Cl

DOS

IR

Vibrations