Geometry & MOs

Info

ID:	48817
PubChem CID:	11528361
Reduced:	NOC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	148.028233
ΔH_f, kcal/mol:	11.18
Dipole, Da:	1.83
IP(EA), eV:	-8.64(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo(4,5-13C2)pentanedioic acid

Drug info:

PubChemData

Smile

C1C=CC2=CC=CN2[C@@H]1C=O

DOS

IR

Vibrations