Geometry & MOs

Info

ID:	314565
PubChem CID:	126622183
Reduced:	NO4C7H9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	267.037902
ΔH_f, kcal/mol:	-152.66
Dipole, Da:	3.04
IP(EA), eV:	-10.06(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(3-hydroxy-2-nitrophenyl)ethenyl]propanedioic acid

Drug info:

PubChemData

Smile

C1C2CC2(NC1=O)COC(=O)O

DOS

IR

Vibrations