Geometry & MOs

Info

ID:	132673
PubChem CID:	51398467
Reduced:	ON2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	325.06246
ΔH_f, kcal/mol:	30.42
Dipole, Da:	6.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.512446
Charge, e:	-1

Chem-info

IUPAC name:

(5E)-5-[[2-(4-fluorophenoxy)phenyl]methylidene]-4,6-dioxo-1H-pyrimidin-2-olate

Drug info:

PubChemData

Smile

CCC1=N[N-]C2=CC=CC3=C(C=CC1=C32)OC

DOS

IR

Vibrations