Geometry & MOs

Info

ID:	165539
PubChem CID:	74562591
Reduced:	N3O5H10C14 (1)
Stoich.:	A3B5C10D14 (1)
Weight, g/mol:	380.124646
ΔH_f, kcal/mol:	8.01
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.800217
Charge, e:	-1

Chem-info

IUPAC name:

1-(2-methylphenyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,6-dioxopyrimidin-4-olate

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=NC1=O)[O-]

DOS

IR

Vibrations