Geometry & MOs

Info

ID:	4222
PubChem CID:	10991
Reduced:	NO3H5C8 (1)
Stoich.:	AB3C5D8 (1)
Weight, g/mol:	163.026943
ΔH_f, kcal/mol:	0.23
Dipole, Da:	3.33
IP(EA), eV:	-10.73(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-8-oxooct-2-en-4,6-diynoic acid

Drug info:

PubChemData

Smile

C(=CC(=O)O)C#CC#CC(=O)N

DOS

IR

Vibrations