Geometry & MOs

Info

ID:	260584
PubChem CID:	103196263
Reduced:	ClN3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-114.2
Dipole, Da:	6.33
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)C2=C(C=CC(=N2)Cl)C(=O)O

DOS

IR

Vibrations