Geometry & MOs

Info

ID:	85023
PubChem CID:	49871353
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	3.33
IP(EA), eV:	-10.2(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[[(2S)-pyrrolidin-2-yl]methyl]triazol-4-yl]methoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C=CCCC(=O)N[C@H]1CN(C1=O)C(=O)CCC=C

DOS

IR

Vibrations