Geometry & MOs

Info

ID:	23765
PubChem CID:	605995
Reduced:	NO6H7C10 (1)
Stoich.:	AB6C7D10 (1)
Weight, g/mol:	237.027337
ΔH_f, kcal/mol:	-121.59
Dipole, Da:	3.39
IP(EA), eV:	-10.91(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-nitrophenyl)-2,4-dioxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)CC(=O)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations