Geometry & MOs

Info

ID:	165538
PubChem CID:	74562590
Reduced:	N4O5C26H27 (1)
Stoich.:	A4B5C26D27 (1)
Weight, g/mol:	300.062045
ΔH_f, kcal/mol:	-64.94
Dipole, Da:	5.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.349922
Charge, e:	-1

Chem-info

IUPAC name:

5-[(4-nitrophenyl)methylidene]-2,6-dioxo-1-prop-2-enylpyrimidin-4-olate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(C5=CC=C(C=C5)[N+](=O)[O-])O

DOS

IR

Vibrations