Geometry & MOs

Info

ID:	27948
PubChem CID:	824270
Reduced:	NO2Cl3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	277.058637
ΔH_f, kcal/mol:	-55.14
Dipole, Da:	1.78
IP(EA), eV:	-9.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations