Geometry & MOs

Info

ID:	283415
PubChem CID:	103979797
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-93.03
Dipole, Da:	3.57
IP(EA), eV:	-10.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(hydroxymethyl)phenyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NOC(=N2)C3CCCC3C(=O)O

DOS

IR

Vibrations